N-{[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl}-2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]acetamide

• ChemBase ID: 448939
• Molecular Formular: C30H32FN3O4
• Molecular Mass: 517.5911832
• Monoisotopic Mass: 517.23768474
• SMILES: c1(c(nc2c(c1)c(ccc2OC)OC)N(C)C)CN(C(=O)Cc1ccc(F)cc1)Cc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CN(C(=O)Cc1ccc(cc1)F)Cc1cc2c(OC)ccc(c2nc1N(C)C)OC
• InChI: InChI=1S/C30H32FN3O4/c1-33(2)30-22(17-25-26(37-4)14-15-27(38-5)29(25)32-30)19-34(18-21-8-12-24(36-3)13-9-21)28(35)16-20-6-10-23(31)11-7-20/h6-15,17H,16,18-19H2,1-5H3
• InChIKey: LWJWBERXAZDSHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl}-2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]acetamide
• IUPAC Traditional name: N-{[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl}-2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]acetamide
• Synonyms: N-{[2-(dimethylamino)-5,8-dimethoxy-3-quinolinyl]methyl}-2-(4-fluorophenyl)-N-(4-methoxybenzyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 5.2025013
• LogD (pH = 7.4): 5.229834
• Log P: 5.230194
• Molar Refractivity: 146.4758 cm^3
• Polarizability: 56.71995 Å^3
• Polar Surface Area: 64.13 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 5.74
• LOG S: -6.06
• Polar Surface Area: 64.13 Å^2
• Rotatable Bonds: 6