2-fluoro-6-(2-methylquinolin-5-yl)benzamide

• ChemBase ID: 499326
• Molecular Formular: C17H13FN2O
• Molecular Mass: 280.2963232
• Monoisotopic Mass: 280.10119127
• SMILES: c1(c(c2c3c(nc(cc3)C)ccc2)cccc1F)C(=O)N
• Canonical SMILES: Cc1ccc2c(n1)cccc2c1cccc(c1C(=O)N)F
• InChI: InChI=1S/C17H13FN2O/c1-10-8-9-12-11(4-3-7-15(12)20-10)13-5-2-6-14(18)16(13)17(19)21/h2-9H,1H3,(H2,19,21)
• InChIKey: OLOVEJCTWCTYRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-6-(2-methylquinolin-5-yl)benzamide
• IUPAC Traditional name: 2-fluoro-6-(2-methylquinolin-5-yl)benzamide
• Synonyms: 2-fluoro-6-(2-methylquinolin-5-yl)benzamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Polar Surface Area: 55.98 Å^2
• Rotatable Bonds: 2
• H Acceptors: 2
• H Donor: 1
• Log P: 2.39
• LOG S: -3.29

JChem

• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 13.236974
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.7887483
• LogD (pH = 7.4): 2.9011915
• Log P: 2.9028382
• Molar Refractivity: 79.0018 cm^3
• Polarizability: 32.164974 Å^3
• Polar Surface Area: 55.98 Å^2