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

• ChemBase ID: 559515
• Molecular Formular: C21H32N4O4
• Molecular Mass: 404.50318
• Monoisotopic Mass: 404.24235552
• SMILES: c1(c(nc2c(c(c(c(c2)OC)OC)OC)c1)N(C)C)CN(C(=O)C)CCN(C)C
• Canonical SMILES: COc1c(OC)c(OC)cc2c1cc(CN(C(=O)C)CCN(C)C)c(n2)N(C)C
• InChI: InChI=1S/C21H32N4O4/c1-14(26)25(10-9-23(2)3)13-15-11-16-17(22-21(15)24(4)5)12-18(27-6)20(29-8)19(16)28-7/h11-12H,9-10,13H2,1-8H3
• InChIKey: FPORDGDUQVQPIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): -2.5447643
• LogD (pH = 7.4): 0.34564012
• Log P: 1.5473237
• Molar Refractivity: 114.944 cm^3
• Polarizability: 44.933296 Å^3
• Polar Surface Area: 67.37 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.82
• LOG S: -1.18
• Polar Surface Area: 67.37 Å^2
• Rotatable Bonds: 4