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

• ChemBase ID: 669252
• Molecular Formular: C23H33N3O4
• Molecular Mass: 415.52582
• Monoisotopic Mass: 415.24710655
• SMILES: c1(c(nc2c(c1)c(ccc2OC)OC)N(C)C)CN(C(=O)C(C)C)CC1OCCC1
• Canonical SMILES: COc1ccc(c2c1cc(CN(C(=O)C(C)C)CC1CCCO1)c(n2)N(C)C)OC
• InChI: InChI=1S/C23H33N3O4/c1-15(2)23(27)26(14-17-8-7-11-30-17)13-16-12-18-19(28-5)9-10-20(29-6)21(18)24-22(16)25(3)4/h9-10,12,15,17H,7-8,11,13-14H2,1-6H3
• InChIKey: HTPKJFGSDNIZMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 3.3207643
• LogD (pH = 7.4): 3.3481014
• Log P: 3.3484616
• Molar Refractivity: 117.9178 cm^3
• Polarizability: 46.38171 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: 4.29
• LOG S: -3.73
• Polar Surface Area: 64.13 Å^2
• Rotatable Bonds: 4