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

• ChemBase ID: 712614
• Molecular Formular: C30H33N3O4
• Molecular Mass: 499.60072
• Monoisotopic Mass: 499.24710655
• SMILES: c1(c(nc2c(c1)c(ccc2OC)OC)N(C)C)CN(C(=O)c1ccc(cc1)C)Cc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CN(C(=O)c1ccc(cc1)C)Cc1cc2c(OC)ccc(c2nc1N(C)C)OC
• InChI: InChI=1S/C30H33N3O4/c1-20-7-11-22(12-8-20)30(34)33(18-21-9-13-24(35-4)14-10-21)19-23-17-25-26(36-5)15-16-27(37-6)28(25)31-29(23)32(2)3/h7-17H,18-19H2,1-6H3
• InChIKey: NZEYZECQTPASNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 5.59306
• LogD (pH = 7.4): 5.620388
• Log P: 5.620748
• Molar Refractivity: 147.2492 cm^3
• Polarizability: 56.791542 Å^3
• Polar Surface Area: 64.13 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 5.94
• LOG S: -5.74
• Polar Surface Area: 64.13 Å^2
• Rotatable Bonds: 5