N-methyl-2-[4-(quinolin-3-yl)phenyl]acetamide

• ChemBase ID: 702896
• Molecular Formular: C18H16N2O
• Molecular Mass: 276.33244
• Monoisotopic Mass: 276.12626314
• SMILES: n1cc(cc2c1cccc2)c1ccc(CC(=O)NC)cc1
• Canonical SMILES: CNC(=O)Cc1ccc(cc1)c1cnc2c(c1)cccc2
• InChI: InChI=1S/C18H16N2O/c1-19-18(21)10-13-6-8-14(9-7-13)16-11-15-4-2-3-5-17(15)20-12-16/h2-9,11-12H,10H2,1H3,(H,19,21)
• InChIKey: LDJPLVPYMZHBCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-[4-(quinolin-3-yl)phenyl]acetamide
• IUPAC Traditional name: N-methyl-2-[4-(quinolin-3-yl)phenyl]acetamide
• Synonyms: N-methyl-2-(4-quinolin-3-ylphenyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.036097
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.8181398
• LogD (pH = 7.4): 2.832422
• Log P: 2.8326075
• Molar Refractivity: 83.142 cm^3
• Polarizability: 34.774563 Å^3
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.05
• LOG S: -2.97
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 3