2-methoxy-N-[2-(quinolin-8-yl)phenyl]acetamide

• ChemBase ID: 350692
• Molecular Formular: C18H16N2O2
• Molecular Mass: 292.33184
• Monoisotopic Mass: 292.12117776
• SMILES: c1(c2c(NC(=O)COC)cccc2)c2ncccc2ccc1
• Canonical SMILES: COCC(=O)Nc1ccccc1c1cccc2c1nccc2
• InChI: InChI=1S/C18H16N2O2/c1-22-12-17(21)20-16-10-3-2-8-14(16)15-9-4-6-13-7-5-11-19-18(13)15/h2-11H,12H2,1H3,(H,20,21)
• InChIKey: KFMIBEOZKSDRTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-N-[2-(quinolin-8-yl)phenyl]acetamide
• IUPAC Traditional name: 2-methoxy-N-[2-(quinolin-8-yl)phenyl]acetamide
• Synonyms: 2-methoxy-N-(2-quinolin-8-ylphenyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.376456
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.8315496
• LogD (pH = 7.4): 2.8415806
• Log P: 2.8417146
• Molar Refractivity: 86.4319 cm^3
• Polarizability: 35.39525 Å^3
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.56
• LOG S: -2.67
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 4