N-{[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl}-4-methyl-N-(oxolan-2-ylmethyl)benzamide

• ChemBase ID: 864872
• 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)c1ccc(cc1)C)CC1OCCC1
• Canonical SMILES: COc1ccc(c2c1cc(CN(C(=O)c1ccc(cc1)C)CC1CCCO1)c(n2)N(C)C)OC
• InChI: InChI=1S/C27H33N3O4/c1-18-8-10-19(11-9-18)27(31)30(17-21-7-6-14-34-21)16-20-15-22-23(32-4)12-13-24(33-5)25(22)28-26(20)29(2)3/h8-13,15,21H,6-7,14,16-17H2,1-5H3
• InChIKey: AWAWEGVXDRYKOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl}-4-methyl-N-(oxolan-2-ylmethyl)benzamide
• IUPAC Traditional name: N-{[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl}-4-methyl-N-(oxolan-2-ylmethyl)benzamide
• Synonyms: N-{[2-(dimethylamino)-5,8-dimethoxy-3-quinolinyl]methyl}-4-methyl-N-(tetrahydro-2-furanylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.444843
• LogD (pH = 7.4): 4.472175
• Log P: 4.472535
• Molar Refractivity: 134.4281 cm^3
• Polarizability: 52.00038 Å^3
• Polar Surface Area: 64.13 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 5.6
• LOG S: -5.58
• Polar Surface Area: 64.13 Å^2
• Rotatable Bonds: 5