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

• ChemBase ID: 774140
• Molecular Formular: C29H37N3O5
• Molecular Mass: 507.62118
• Monoisotopic Mass: 507.2733213
• SMILES: c1(c(nc2c(c1)c(ccc2OC)OC)N(C)C)CN(C(=O)CCc1c(OC)cccc1)CC1OCCC1
• Canonical SMILES: COc1ccccc1CCC(=O)N(Cc1cc2c(OC)ccc(c2nc1N(C)C)OC)CC1CCCO1
• InChI: InChI=1S/C29H37N3O5/c1-31(2)29-21(17-23-25(35-4)13-14-26(36-5)28(23)30-29)18-32(19-22-10-8-16-37-22)27(33)15-12-20-9-6-7-11-24(20)34-3/h6-7,9,11,13-14,17,22H,8,10,12,15-16,18-19H2,1-5H3
• InChIKey: YBXGNGHVTDUCRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 4.1984797
• LogD (pH = 7.4): 4.2258162
• Log P: 4.2261767
• Molar Refractivity: 144.5025 cm^3
• Polarizability: 56.65278 Å^3
• Polar Surface Area: 73.36 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 5.47
• LOG S: -5.45
• Polar Surface Area: 73.36 Å^2
• Rotatable Bonds: 7