1.0 2016-05-25 18:19:57 UTC 2026-08-20 03:19:57 UTC Grepafloxacin SmallMolecule Grepafloxacin is an organic compound with the formula C19H22FN3O3 and an average molecular weight of 359.39 g/mol. Grepafloxacin belongs to the quinoline carboxylic acids, a subclass of quinolines and derivatives within the organic compounds. It is categorized as an organoheterocyclic compound. The compound is found in or released from six recorded sources. These include pharmaceuticals and veterinary products, specifically antibiotics and quinolone antibacterials, as well as food, food processing and cookware involving processing meats. Additionally, it is associated with electrical and electronic equipment, such as video games and television systems, and household cleaning and consumer products, specifically non electric simulated smoking devices. Recorded routes of exposure for this substance include oral and inhalation. In terms of biological activity, grepafloxacin acts on three recorded protein targets. It functions as an inhibitor or modulator of DNA gyrase subunit B (gyrB), DNA topoisomerase 4 subunit A (parC), and DNA gyrase subunit A (gyrA). C19H22FN3O3 359.3947 359.16451979 1-cyclopropyl-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid grepafloxacin 119914-60-2 CC1CN(CCN1)C1=C(F)C(C)=C2C(=O)C(=CN(C3CC3)C2=C1)C(O)=O InChI=1S/C19H22FN3O3/c1-10-8-22(6-5-21-10)15-7-14-16(11(2)17(15)20)18(24)13(19(25)26)9-23(14)12-3-4-12/h7,9-10,12,21H,3-6,8H2,1-2H3,(H,25,26) AIJTTZAVMXIJGM-UHFFFAOYSA-N Organic compounds Organoheterocyclic compounds Quinolines and derivatives Quinoline carboxylic acids Quinoline carboxylic acids Amino acids Aminoquinolines and derivatives Aryl fluorides Azacyclic compounds Benzenoids Carboxylic acids Dialkylamines Dialkylarylamines Fluoroquinolones Haloquinolines Heteroaromatic compounds Hydrocarbon derivatives Hydroquinolines Hydroquinolones Monocarboxylic acids and derivatives N-arylpiperazines Organic oxides Organofluorides Organooxygen compounds Organopnictogen compounds Pyridinecarboxylic acids Vinylogous amides 1,4-diazinane Amine Amino acid Amino acid or derivatives Aminoquinoline Aromatic heteropolycyclic compound Aryl fluoride Aryl halide Azacycle Benzenoid Carboxylic acid Carboxylic acid derivative Dialkylarylamine Dihydroquinoline Dihydroquinolone Fluoroquinolone Haloquinoline Heteroaromatic compound Hydrocarbon derivative Monocarboxylic acid or derivatives N-arylpiperazine Organic nitrogen compound Organic oxide Organic oxygen compound Organofluoride Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Piperazine Pyridine Pyridine carboxylic acid Pyridine carboxylic acid or derivatives Quinoline-3-carboxylic acid Secondary aliphatic amine Secondary amine Tertiary aliphatic/aromatic amine Tertiary amine Vinylogous amide Aromatic heteropolycyclic compounds fluoroquinolone antibiotic quinolines quinolone antibiotic Detected and Not Quantified Grepafloxacin Drug Metabolism Action Pathway SMP0142823 logp 0.068 logp -0.12 ALOGPS logs -2.76 ALOGPS solubility 6.32e-01 g/l ALOGPS logp 0.12 ChemAxon pka_strongest_acidic 5.88 ChemAxon pka_strongest_basic 8.77 ChemAxon iupac 1-cyclopropyl-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid ChemAxon average_mass 359.3947 ChemAxon mono_mass 359.16451979 ChemAxon smiles CC1CN(CCN1)C1=C(F)C(C)=C2C(=O)C(=CN(C3CC3)C2=C1)C(O)=O ChemAxon formula C19H22FN3O3 ChemAxon inchi InChI=1S/C19H22FN3O3/c1-10-8-22(6-5-21-10)15-7-14-16(11(2)17(15)20)18(24)13(19(25)26)9-23(14)12-3-4-12/h7,9-10,12,21H,3-6,8H2,1-2H3,(H,25,26) ChemAxon inchikey AIJTTZAVMXIJGM-UHFFFAOYSA-N ChemAxon polar_surface_area 72.88 ChemAxon refractivity 97.4 ChemAxon polarizability 37.69 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72263aca88> DB00365 72474 65391 BE0000366 BE0000429 BE0008385 BE0002388