N-{[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl}-N-[2-(dimethylamino)ethyl]furan-2-carboxamide

• ChemBase ID: 339613
• Molecular Formular: C24H32N4O5
• Molecular Mass: 456.53468
• Monoisotopic Mass: 456.23727014
• SMILES: c1(c(nc2c(c(c(c(c2)OC)OC)OC)c1)N(C)C)CN(C(=O)c1occc1)CCN(C)C
• Canonical SMILES: COc1c(OC)c(OC)cc2c1cc(CN(C(=O)c1ccco1)CCN(C)C)c(n2)N(C)C
• InChI: InChI=1S/C24H32N4O5/c1-26(2)10-11-28(24(29)19-9-8-12-33-19)15-16-13-17-18(25-23(16)27(3)4)14-20(30-5)22(32-7)21(17)31-6/h8-9,12-14H,10-11,15H2,1-7H3
• InChIKey: AIPCOORHNHVCLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl}-N-[2-(dimethylamino)ethyl]furan-2-carboxamide
• IUPAC Traditional name: N-{[2-(dimethylamino)-5,6,7-trimethoxyquinolin-3-yl]methyl}-N-[2-(dimethylamino)ethyl]furan-2-carboxamide
• Synonyms: N-[2-(dimethylamino)ethyl]-N-{[2-(dimethylamino)-5,6,7-trimethoxy-3-quinolinyl]methyl}-2-furamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): -1.6298522
• LogD (pH = 7.4): 1.260585
• Log P: 2.4617448
• Molar Refractivity: 128.0054 cm^3
• Polarizability: 49.34583 Å^3
• Polar Surface Area: 80.51 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 3.62
• LOG S: -2.59
• Polar Surface Area: 80.51 Å^2
• Rotatable Bonds: 5