N-[2-ethyl-4-(8-methoxyquinolin-5-yl)phenyl]acetamide

• ChemBase ID: 656974
• Molecular Formular: C20H20N2O2
• Molecular Mass: 320.385
• Monoisotopic Mass: 320.15247789
• SMILES: c1(c2c(nccc2)c(cc1)OC)c1cc(c(NC(=O)C)cc1)CC
• Canonical SMILES: CCc1cc(ccc1NC(=O)C)c1ccc(c2c1cccn2)OC
• InChI: InChI=1S/C20H20N2O2/c1-4-14-12-15(7-9-18(14)22-13(2)23)16-8-10-19(24-3)20-17(16)6-5-11-21-20/h5-12H,4H2,1-3H3,(H,22,23)
• InChIKey: AWIZBZHOAAUTIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-ethyl-4-(8-methoxyquinolin-5-yl)phenyl]acetamide
• IUPAC Traditional name: N-[2-ethyl-4-(8-methoxyquinolin-5-yl)phenyl]acetamide
• Synonyms: N-[2-ethyl-4-(8-methoxyquinolin-5-yl)phenyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.38772
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.8154674
• LogD (pH = 7.4): 3.8161464
• Log P: 3.816155
• Molar Refractivity: 96.0839 cm^3
• Polarizability: 38.987553 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: 3.4
• LOG S: -4.44
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 4