Quinolines and derivatives
Kynurenic Acid, TRC
CAS: 492-27-3 Molecular Formula: C10 H7 N O3 Molecular Weight (g/mol): 189.17 Synonym: 2-Quinolinecarboxylic acid, 4-hydroxy- (9CI, ACI),4-Hydroxy-2-quinolinecarboxylic acid (ACI),Quinaldic acid, 4-hydroxy- (8CI),2-Carboxy-4-hydroxyquinoline,4-Hydroxyquinaldic acid,4-Hydroxyquinaldinic acid,4-Hydroxyquinoline-2-carboxylic acid,Kynurenic acid,MeSH ID: D007736,NSC 58973,Quinurenic acid IUPAC Name: 4-hydroxyquinoline-2-carboxylic acid SMILES: OC(=O)c1cc(O)c2ccccc2n1
Nadifloxacin, TRC
CAS: 124858-35-1 Molecular Formula: C19 H21 F N2 O4 Molecular Weight (g/mol): 360.38 Synonym: 1H,5H-Benzo[ij]quinolizine-2-carboxylic acid, 9-fluoro-6,7-dihydro-8-(4-hydroxy-1-piperidinyl)-5-methyl-1-oxo-,1H,5H-Benzo[ij]quinolizine-2-carboxylic acid, 9-fluoro-6,7-dihydro-8-(4-hydroxy-1-piperidinyl)-5-methyl-1-oxo-, (±)-,9-Fluoro-6,7-dihydro-8-(4-hydroxy-1-piperidinyl)-5-methyl-1-oxo-1H,5H-benzo[ij]quinolizine-2-carboxylic acid,9-Fluoro-8-(4-hydroxypiperidin-1-yl)-5-methyl-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid,Jinofloxacin,Nadifloxacin,Nadixa,OPC 7251 SMILES: CC1CCc2c(N3CCC(O)CC3)c(F)cc4C(=O)C(=CN1c24)C(=O)O
Enrofloxacin, TRC
CAS: 93106-60-6 Molecular Formula: C19 H22 F N3 O3 Molecular Weight (g/mol): 359.39 Synonym: 1-Cyclopropyl-7-(4-ethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid,1-Cyclopropyl-6-fluoro-7-(4-ethyl-1-piperazinyl)-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid,Alsir,BAY-Vp 2674,Bayrocin,Baytril,Biofloxavet,CFPQ,Enflocyna Sol,Enrocin,Enrodac,Enrofan,Enrofloxacin,Enrogil,Enrovet,Enroxil,Fortius,N-Ethyl ciprofloxacin,N-Ethylciprofloxacin,N'-Ethylciprofloxacin,PD 160788 IUPAC Name: 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid SMILES: CCN1CCN(CC1)c2cc3N(C=C(C(=O)O)C(=O)c3cc2F)C4CC4
Ofloxacin, TRC
CAS: 82419-36-1 Molecular Formula: C18 H20 F N3 O4 Molecular Weight (g/mol): 361.37 Synonym: Ofloxacin,9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid,(±)-9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid,(±)-Ofloxacin,9-Fluoro-2,3-dihydro-3-methyl-10-(N-methylpiperazinyl)-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid,9-Fluoro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid,DL 8280,Exocin,Flobacin,Floxal,Floxil,Floxin,HOE 280,ORF 18489,Ocuflox,Oflin,Oflocet,Oflocin,Oflox,Ofloxacin,Ofloxacine,Ofloxin,Oxaldin,PT 01,Tariferid,Tarivid,Visiren,Visren,WP 0405,Zanocin IUPAC Name: 9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid SMILES: CC1COc2c(N3CCN(C)CC3)c(F)cc4C(=O)C(=CN1c24)C(=O)O
Flumequine, TRC
CAS: 42835-25-6 Molecular Formula: C14 H12 F N O3 Molecular Weight (g/mol): 261.25 Synonym: Flumequine,(RS)-9-Fluoro-5-methyl-1-oxo-6,7-dihydro-1H,5H-benzo[i,j]quinolizine-2-carboxylic acid,1H,5H-Benzo[ij]quinolizine-2-carboxylic acid, 9-fluoro-6,7-dihydro-5-methyl-1-oxo-,9-Fluoro-6,7-dihydro-5-methyl-1-oxo-1H,5H-benzo[ij]quinolizine-2-carboxylic acid (ACI),(±)-Flumequine,Apurone,Fantacin,Firestop,Flumequine,Flumigal,Flumiquil,Flumisol,Flumix,Imequyl,R 802,R 802 (bactericide) IUPAC Name: 7-fluoro-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid SMILES: CC1CCc2cc(F)cc3C(=O)C(=CN1c23)C(=O)O
Danofloxacin, TRC
CAS: 112398-08-0 Molecular Formula: C19 H20 F N3 O3 Molecular Weight (g/mol): 357.38 Synonym: 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept-2-yl]-4-oxo-,3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-7-(5-methyl-2,5-diazabicyclo[2.2.1]hept-2-yl)-4-oxo-, (1S)-,1-Cyclopropyl-6-fluoro-1,4-dihydro-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept-2-yl]-4-oxo-3-quinolinecarboxylic acid,2,5-Diazabicyclo[2.2.1]heptane, 3-quinolinecarboxylic acid deriv.,Advocin,Advocip,Danofloxacin IUPAC Name: 1-cyclopropyl-6-fluoro-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-oxoquinoline-3-carboxylic acid SMILES: CN1C[C@@H]2C[C@H]1CN2c3cc4N(C=C(C(=O)O)C(=O)c4cc3F)C5CC5
Moxifloxacin, TRC
CAS: 151096-09-2 Molecular Formula: C21 H24 F N3 O4 Molecular Weight (g/mol): 401.43 Synonym: 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-,3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-4-oxo-, (4aS-cis)-,1-Cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-3-quinolinecarboxylic acid,6H-Pyrrolo[3,4-b]pyridine, 3-quinolinecarboxylic acid deriv.,Avolex,Izilox,Moxeza,Moxicip,Moxifloxacin,Moxifloxacine,Rapiflox,Vigamox IUPAC Name: 7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid SMILES: COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc4C(=O)C(=CN(C5CC5)c14)C(=O)O
Pefloxacinium, TRC
CAS: 70458-92-3 Molecular Formula: C17 H20 F N3 O3 Molecular Weight (g/mol): 333.36 Synonym: 3-Quinolinecarboxylic acid, 1-ethyl-6-fluoro-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo- (9CI, ACI),1-Ethyl-6-fluoro-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid (ACI),1-Ethyl-6-fluoro-7-(4-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid,1584RB,1589RB,Abactal,Abaktal,AM 725,EU 5306,Globacin,N'-Methylnorfloxacin,Pefbid,Peflacine,Pefloxacin,Pefloxacine,Pelox,Perflacin,Perti,1-Ethyl-6-fluoro-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid,1584RB,1589RB,AM 725,Abactal,Abaktal,EU 5306,Globacin,N'-Methylnorfloxacin,Pefbid,Peflacine,Pefloxacin,Pefloxacine,Pelox,Perflacin,Perti IUPAC Name: 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid SMILES: CCN1C=C(C(=O)O)C(=O)c2cc(F)c(cc12)N3CCN(C)CC3
Arainosine, TRC
CAS: 7013-16-3 Molecular Formula: C10H12N4O5 Molecular Weight (g/mol): 268.23 Synonym: 9-beta-D-Arabinofuranosyl-1,9-dihydro-6H-purin-6-one,9-beta-D-Arabinofuranosylhypoxanthine,Ara-H,Arabinosylhypoxanthine,Hypoxanthine Arabinoside,NSC 405122 IUPAC Name: 9-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one SMILES: OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)n2cnc3C(=O)NC=Nc23
Buquinolate, TRC
CAS: 5486-03-3 Molecular Formula: C20 H27 N O5 Molecular Weight (g/mol): 361.43 Synonym: 3-Quinolinecarboxylic acid, 4-hydroxy-6,7-diisobutoxy-, ethyl ester (7CI,8CI),4-Hydroxy-6,7-diisobutoxyquinoline-3-carboxylic acid ethyl ester,Antagonal,Bonaid,Bonaid TM,Buquinolate,Butoril,Ethyl 4-hydroxy-6,7-bis(2-methylpropoxy)-3-quinolinecarboxylate,Ethyl 4-hydroxy-6,7-diisobutoxy-3-quinolinecarboxylate,Ethyl 6,7-diisobutoxy-4-hydroxyquinoline-3-carboxylate,NSC 201116,U 1093 IUPAC Name: ethyl 4-hydroxy-6,7-bis(2-methylpropoxy)quinoline-3-carboxylate SMILES: CCOC(=O)c1cnc2cc(OCC(C)C)c(OCC(C)C)cc2c1O
Levofloxacin, TRC
CAS: 100986-85-4 Molecular Formula: C18 H20 F N3 O4 Molecular Weight (g/mol): 361.37 Synonym: 7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 9-fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-, (S)-,(3S)-9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid,(-)-Ofloxacin,(S)-(-)-Ofloxacin,(S)-Ofloxacin,Cravit,DR 3355,HR 355,Levaquin,Levoflox,Levofloxacin,Loxof,MP 376,Oftaquix,Quixin,RWJ 25213-097,Tavanic,Unibiotic,Venaxan IUPAC Name: (3S)-9-Fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid SMILES: C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc4C(=O)C(=CN1c24)C(=O)O
(+/-)-Blebbistatin, TRC
CAS: 674289-55-5 Molecular Formula: C18 H16 N2 O2 Molecular Weight (g/mol): 292.33 IUPAC Name: 3a-hydroxy-6-methyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one SMILES: Cc1ccc2N=C3N(CCC3(O)C(=O)c2c1)c4ccccc4
Dictamnine, TRC
CAS: 484-29-7 Molecular Formula: C12H9NO2 Molecular Weight (g/mol): 199.21 Synonym: Dictamnine,4-Methoxyfuro[2,3-b]quinoline,Dectamine,Dictamine SMILES: COC1=C2C(OC=C2)=NC3=CC=CC=C13
Pelitinib, TRC
CAS: 257933-82-7 Molecular Formula: C24 H23 Cl F N5 O2 Molecular Weight (g/mol): 467.92 IUPAC Name: (E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide SMILES: CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
Metergoline, TRC
CAS: 17692-51-2 Molecular Formula: C25 H29 N3 O2 Molecular Weight (g/mol): 403.5167 Synonym: N-[[(8β)-1,6-Dimethylergolin-8-yl]methyl]-carbamic Acid Phenylmethyl Ester,Carbamic acid, [(1,6-dimethylergolin-8β-yl)methyl]-, benzyl ester (8CI),Carbamic acid, [[(8β)-1,6-dimethylergolin-8-yl]methyl]-, phenylmethyl ester (9CI),Lysergamine, N-carboxy-9,10-dihydro-1-methyl-, benzyl ester (7CI),Ergoline, carbamic acid deriv.,Indolo[4,3-fg]quinoline, carbamic acid deriv.,(+)-N-Carboxy-1-methyl-9,10-dihydrolysergamide benzyl ester,8β-Carbobenzyloxyaminomethyl-1,6-dimethyl-10α-ergoline,AHR 3009,Contralac,D-8β-[(Carbobenzoxyamino)methyl]-1,6-dimethyl-10α-ergoline,D-8β-[(Carboxyamino)methyl]-1,6-dimethylergoline I benzyl ester,D-N-Carbobenzoxydihydro-1-methyllysergamine I,D-N-Carboxydihydro-1-methyllysergamine I benzyl ester,D-[(4,6,6a,7,8,9,10,10a-Octahydro-4,7-dimethyl-10aα-indolo[4,3-fg]quinolin-9β-yl)methyl]carbamic acid benzyl ester,FI 6337,Liserdol,MCE,Metergolin,Methergoline,[(1,6-Dimethylergolin-8β-yl)methyl]carbamic Acid Benzyl Ester,N-Carboxy-9,10-dihydro-1-methyllysergamine Benzyl Ester IUPAC Name: benzyl N-[[(6aR,9S,10aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-yl]methyl]carbamate SMILES: CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@H]3[C@H]1Cc4cn(C)c5cccc3c45