1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid hydrochloride

• ChemBase ID: 53547
• Molecular Formular: C17H19ClFN3O3
• Molecular Mass: 367.8024632
• Monoisotopic Mass: 367.10989738
• SMILES: c1(c(=O)c2c(n(c1)C1CC1)cc(c(c2)F)N1CCNCC1)C(=O)O.Cl
• Canonical SMILES: Fc1cc2c(cc1N1CCNCC1)n(cc(c2=O)C(=O)O)C1CC1.Cl
• InChI: InChI=1S/C17H18FN3O3.ClH/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24;/h7-10,19H,1-6H2,(H,23,24);1H
• InChIKey: DIOIOSKKIYDRIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid hydrochloride
• IUPAC Traditional name: ciprofloxacin hydrochloride
• Synonyms: 1-Cyclopropyl-6-fluoro-4-oxo-7-(1-piperazinyl)-1,4 -dihydro-3-quinolinecarboxylic acid hydrochloride; 1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid hydrochloride

Database IDs

• CAS Number: 86393-32-0
• MDL Number: MFCD00079044
• PubChem SID: 162058310
• PubChem CID: 62999

CALCULATED PROPERTIES

• Acid pKa: 5.7555547
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -1.1448648
• LogD (pH = 7.4): -0.8145325
• Log P: -0.81459606
• Molar Refractivity: 87.9394 cm^3
• Polarizability: 32.267574 Å^3
• Polar Surface Area: 72.88 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Salt Data: HCl