1.0 2016-05-25 18:20:44 UTC 2026-08-19 20:31:31 UTC Pefloxacin SmallMolecule Pefloxacin is an organic compound with the chemical formula C17H20FN3O3 and an average molecular weight of 333.36 g/mol. Pefloxacin belongs to the quinoline carboxylic acids, a subclass of quinolines and derivatives within the organic compounds. It is categorized under the superclass of organoheterocyclic compounds. The substance is identified in three recorded sources, including antibiotics used in healthcare, pharmaceuticals, and veterinary products, as well as ceilings and floors within building and construction. Exposure to this compound can occur via oral or inhalation routes. Pefloxacin acts on five recorded protein targets; it functions as an inhibitor of DNA gyrase subunit A (gyrA), DNA topoisomerase 4 subunit A (parC), DNA topoisomerase 2-alpha (TOP2A), and DNA topoisomerase 1 (topA), in addition to one other protein. Human Neurotoxin C17H20FN3O3 333.3574 333.148869726 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid pefloxacin 70458-92-3 CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(C=C12)N1CCN(C)CC1 InChI=1S/C17H20FN3O3/c1-3-20-10-12(17(23)24)16(22)11-8-13(18)15(9-14(11)20)21-6-4-19(2)5-7-21/h8-10H,3-7H2,1-2H3,(H,23,24) FHFYDNQZQSQIAI-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 Dialkylarylamines Fluoroquinolones Haloquinolines Heteroaromatic compounds Hydrocarbon derivatives Hydroquinolines Hydroquinolones Monocarboxylic acids and derivatives N-arylpiperazines N-methylpiperazines Organic oxides Organofluorides Organooxygen compounds Organopnictogen compounds Pyridinecarboxylic acids Trialkylamines 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-alkylpiperazine N-arylpiperazine N-methylpiperazine 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 Tertiary aliphatic amine Tertiary aliphatic/aromatic amine Tertiary amine Vinylogous amide Aromatic heteropolycyclic compounds N-alkylpiperazine N-arylpiperazine fluoroquinolone antibiotic quinolone quinolone antibiotic Detected and Not Quantified Pefloxacin Drug Metabolism Action Pathway SMP0142941 logp 0.26 logp 0.20 ALOGPS logs -2.43 ALOGPS solubility 1.23e+00 g/l ALOGPS logp 0.88 ChemAxon pka_strongest_acidic 5.66 ChemAxon pka_strongest_basic 6.47 ChemAxon iupac 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid ChemAxon average_mass 333.3574 ChemAxon mono_mass 333.148869726 ChemAxon smiles CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(C=C12)N1CCN(C)CC1 ChemAxon formula C17H20FN3O3 ChemAxon inchi InChI=1S/C17H20FN3O3/c1-3-20-10-12(17(23)24)16(22)11-8-13(18)15(9-14(11)20)21-6-4-19(2)5-7-21/h8-10H,3-7H2,1-2H3,(H,23,24) ChemAxon inchikey FHFYDNQZQSQIAI-UHFFFAOYSA-N ChemAxon polar_surface_area 64.09 ChemAxon refractivity 90.77 ChemAxon polarizability 34.42 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 6 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f722299d540> DB00487 6919009 46291 BE0000366 BE0000429 BE0000742 BE0004950 BE0002425