6-fluoro-2-oxo-N-[4-(pyridin-2-yl)butyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide

• ChemBase ID: 532441
• Molecular Formular: C19H20FN3O2
• Molecular Mass: 341.3794032
• Monoisotopic Mass: 341.15395512
• SMILES: c12C(C(=O)NCCCCc3ncccc3)CC(=O)Nc1ccc(c2)F
• Canonical SMILES: O=C1Nc2ccc(cc2C(C1)C(=O)NCCCCc1ccccn1)F
• InChI: InChI=1S/C19H20FN3O2/c20-13-7-8-17-15(11-13)16(12-18(24)23-17)19(25)22-10-4-2-6-14-5-1-3-9-21-14/h1,3,5,7-9,11,16H,2,4,6,10,12H2,(H,22,25)(H,23,24)
• InChIKey: BARJFCDIVUQRLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoro-2-oxo-N-[4-(pyridin-2-yl)butyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
• IUPAC Traditional name: 6-fluoro-2-oxo-N-[4-(pyridin-2-yl)butyl]-3,4-dihydro-1H-quinoline-4-carboxamide
• Synonyms: 6-fluoro-2-oxo-N-[4-(2-pyridinyl)butyl]-1,2,3,4-tetrahydro-4-quinolinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.85424
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.5247009
• LogD (pH = 7.4): 1.8507969
• Log P: 1.857314
• Molar Refractivity: 93.35 cm^3
• Polarizability: 35.03273 Å^3
• Polar Surface Area: 71.09 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.37
• LOG S: -1.56
• Polar Surface Area: 71.09 Å^2
• Rotatable Bonds: 6