6-fluoro-N-{2-[(3-methylpyridin-2-yl)amino]ethyl}-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxamide

• ChemBase ID: 839505
• Molecular Formular: C18H19FN4O2
• Molecular Mass: 342.3674632
• Monoisotopic Mass: 342.14920409
• SMILES: c12C(C(=O)NCCNc3ncccc3C)CC(=O)Nc1ccc(c2)F
• Canonical SMILES: O=C1Nc2ccc(cc2C(C1)C(=O)NCCNc1ncccc1C)F
• InChI: InChI=1S/C18H19FN4O2/c1-11-3-2-6-20-17(11)21-7-8-22-18(25)14-10-16(24)23-15-5-4-12(19)9-13(14)15/h2-6,9,14H,7-8,10H2,1H3,(H,20,21)(H,22,25)(H,23,24)
• InChIKey: CHUWTWLVQWBNTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoro-N-{2-[(3-methylpyridin-2-yl)amino]ethyl}-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxamide
• IUPAC Traditional name: 6-fluoro-N-{2-[(3-methylpyridin-2-yl)amino]ethyl}-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
• Synonyms: 6-fluoro-N-{2-[(3-methyl-2-pyridinyl)amino]ethyl}-2-oxo-1,2,3,4-tetrahydro-4-quinolinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.844345
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.21065542
• LogD (pH = 7.4): 1.293033
• Log P: 1.4635042
• Molar Refractivity: 94.8417 cm^3
• Polarizability: 34.3555 Å^3
• Polar Surface Area: 83.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 1.35
• LOG S: -2.85
• Polar Surface Area: 83.12 Å^2
• Rotatable Bonds: 5