N-{[2-(dimethylamino)-7-methylquinolin-3-yl]methyl}-N-[2-(4-fluorophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide

• ChemBase ID: 502883
• Molecular Formular: C32H36FN3O4
• Molecular Mass: 545.6443432
• Monoisotopic Mass: 545.26898487
• SMILES: c1(c(nc2c(c1)ccc(c2)C)N(C)C)CN(C(=O)Cc1cc(c(c(c1)OC)OC)OC)CCc1ccc(F)cc1
• Canonical SMILES: COc1c(OC)cc(cc1OC)CC(=O)N(Cc1cc2ccc(cc2nc1N(C)C)C)CCc1ccc(cc1)F
• InChI: InChI=1S/C32H36FN3O4/c1-21-7-10-24-19-25(32(35(2)3)34-27(24)15-21)20-36(14-13-22-8-11-26(33)12-9-22)30(37)18-23-16-28(38-4)31(40-6)29(17-23)39-5/h7-12,15-17,19H,13-14,18,20H2,1-6H3
• InChIKey: IXBLCTLAKBUJND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(dimethylamino)-7-methylquinolin-3-yl]methyl}-N-[2-(4-fluorophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
• IUPAC Traditional name: N-{[2-(dimethylamino)-7-methylquinolin-3-yl]methyl}-N-[2-(4-fluorophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
• Synonyms: N-{[2-(dimethylamino)-7-methyl-3-quinolinyl]methyl}-N-[2-(4-fluorophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 5.4633536
• LogD (pH = 7.4): 6.0171537
• Log P: 6.0322766
• Molar Refractivity: 156.272 cm^3
• Polarizability: 60.32348 Å^3
• Polar Surface Area: 64.13 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 5.56
• LOG S: -7.32
• Polar Surface Area: 64.13 Å^2
• Rotatable Bonds: 7