N-{[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl}-N-(furan-2-ylmethyl)-3-methoxybenzamide

• ChemBase ID: 349462
• Molecular Formular: C27H29N3O5
• Molecular Mass: 475.53626
• Monoisotopic Mass: 475.21072104
• SMILES: c1(c(nc2c(c1)c(ccc2OC)OC)N(C)C)CN(C(=O)c1cc(OC)ccc1)Cc1occc1
• Canonical SMILES: COc1cccc(c1)C(=O)N(Cc1cc2c(OC)ccc(c2nc1N(C)C)OC)Cc1ccco1
• InChI: InChI=1S/C27H29N3O5/c1-29(2)26-19(15-22-23(33-4)11-12-24(34-5)25(22)28-26)16-30(17-21-10-7-13-35-21)27(31)18-8-6-9-20(14-18)32-3/h6-15H,16-17H2,1-5H3
• InChIKey: QCEZOVXMIFJUIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl}-N-(furan-2-ylmethyl)-3-methoxybenzamide
• IUPAC Traditional name: N-{[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl}-N-(furan-2-ylmethyl)-3-methoxybenzamide
• Synonyms: N-{[2-(dimethylamino)-5,8-dimethoxy-3-quinolinyl]methyl}-N-(2-furylmethyl)-3-methoxybenzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.139886
• LogD (pH = 7.4): 4.1672134
• Log P: 4.1675735
• Molar Refractivity: 134.5989 cm^3
• Polarizability: 51.876717 Å^3
• Polar Surface Area: 77.27 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: 4.91
• LOG S: -5.92
• Polar Surface Area: 77.27 Å^2
• Rotatable Bonds: 5