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

• ChemBase ID: 864269
• Molecular Formular: C27H33N3O4
• Molecular Mass: 463.56862
• Monoisotopic Mass: 463.24710655
• SMILES: c1(c(nc2c(c1)c(ccc2OC)OC)N(C)C)CN(C(=O)CCC=C)Cc1ccc(cc1)OC
• Canonical SMILES: C=CCCC(=O)N(Cc1cc2c(OC)ccc(c2nc1N(C)C)OC)Cc1ccc(cc1)OC
• InChI: InChI=1S/C27H33N3O4/c1-7-8-9-25(31)30(17-19-10-12-21(32-4)13-11-19)18-20-16-22-23(33-5)14-15-24(34-6)26(22)28-27(20)29(2)3/h7,10-16H,1,8-9,17-18H2,2-6H3
• InChIKey: SPOKTEICFRPVJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.5111446
• LogD (pH = 7.4): 4.5384774
• Log P: 4.5388374
• Molar Refractivity: 135.4105 cm^3
• Polarizability: 52.772232 Å^3
• Polar Surface Area: 64.13 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 5.13
• LOG S: -5.18
• Polar Surface Area: 64.13 Å^2
• Rotatable Bonds: 7