N-[4-(quinolin-4-yl)phenyl]acetamide

• ChemBase ID: 356761
• Molecular Formular: C17H14N2O
• Molecular Mass: 262.30586
• Monoisotopic Mass: 262.11061308
• SMILES: c1(c2c(ncc1)cccc2)c1ccc(NC(=O)C)cc1
• Canonical SMILES: CC(=O)Nc1ccc(cc1)c1ccnc2c1cccc2
• InChI: InChI=1S/C17H14N2O/c1-12(20)19-14-8-6-13(7-9-14)15-10-11-18-17-5-3-2-4-16(15)17/h2-11H,1H3,(H,19,20)
• InChIKey: KIWGAFRGSDMNEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(quinolin-4-yl)phenyl]acetamide
• IUPAC Traditional name: N-[4-(quinolin-4-yl)phenyl]acetamide
• Synonyms: N-(4-quinolin-4-ylphenyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.273574
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9668088
• LogD (pH = 7.4): 3.0151796
• Log P: 3.0158362
• Molar Refractivity: 79.9785 cm^3
• Polarizability: 32.917812 Å^3
• Polar Surface Area: 41.99 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: 3.1
• LOG S: -3.76
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 2