2-(quinolin-3-yl)benzamide

• ChemBase ID: 351227
• Molecular Formular: C16H12N2O
• Molecular Mass: 248.27928
• Monoisotopic Mass: 248.09496301
• SMILES: c1(c(C(=O)N)cccc1)c1cc2c(nc1)cccc2
• Canonical SMILES: NC(=O)c1ccccc1c1cnc2c(c1)cccc2
• InChI: InChI=1S/C16H12N2O/c17-16(19)14-7-3-2-6-13(14)12-9-11-5-1-4-8-15(11)18-10-12/h1-10H,(H2,17,19)
• InChIKey: IYDMPURGQXOPPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(quinolin-3-yl)benzamide
• IUPAC Traditional name: 2-(quinolin-3-yl)benzamide
• Synonyms: 2-quinolin-3-ylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.962587
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6168346
• LogD (pH = 7.4): 2.6286137
• Log P: 2.628766
• Molar Refractivity: 74.1939 cm^3
• Polarizability: 30.856258 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: 2.1
• LOG S: -2.8
• Polar Surface Area: 55.98 Å^2
• Rotatable Bonds: 2