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

• ChemBase ID: 693397
• Molecular Formular: C17H13FN2O
• Molecular Mass: 280.2963232
• Monoisotopic Mass: 280.10119127
• SMILES: c1(cc(c2c3c(nccc3)ccc2C)ccc1F)C(=O)N
• Canonical SMILES: Cc1ccc2c(c1c1ccc(c(c1)C(=O)N)F)cccn2
• InChI: InChI=1S/C17H13FN2O/c1-10-4-7-15-12(3-2-8-20-15)16(10)11-5-6-14(18)13(9-11)17(19)21/h2-9H,1H3,(H2,19,21)
• InChIKey: NKHBNKGXVAAHOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.817009
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.2413783
• LogD (pH = 7.4): 3.2843122
• Log P: 3.2848895
• Molar Refractivity: 79.4515 cm^3
• Polarizability: 32.158264 Å^3
• Polar Surface Area: 55.98 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.61
• LOG S: -3.47
• Polar Surface Area: 55.98 Å^2
• Rotatable Bonds: 2