2-methyl-N-{[6-methyl-2-(2-methylphenyl)quinolin-3-yl]methyl}-N-(oxolan-2-ylmethyl)propanamide

• ChemBase ID: 670332
• Molecular Formular: C27H32N2O2
• Molecular Mass: 416.55518
• Monoisotopic Mass: 416.24637827
• SMILES: c1(nc2c(cc1CN(C(=O)C(C)C)CC1OCCC1)cc(cc2)C)c1c(C)cccc1
• Canonical SMILES: Cc1ccc2c(c1)cc(c(n2)c1ccccc1C)CN(C(=O)C(C)C)CC1CCCO1
• InChI: InChI=1S/C27H32N2O2/c1-18(2)27(30)29(17-23-9-7-13-31-23)16-22-15-21-14-19(3)11-12-25(21)28-26(22)24-10-6-5-8-20(24)4/h5-6,8,10-12,14-15,18,23H,7,9,13,16-17H2,1-4H3
• InChIKey: XOEOULNMGKSZNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-N-{[6-methyl-2-(2-methylphenyl)quinolin-3-yl]methyl}-N-(oxolan-2-ylmethyl)propanamide
• IUPAC Traditional name: 2-methyl-N-{[6-methyl-2-(2-methylphenyl)quinolin-3-yl]methyl}-N-(oxolan-2-ylmethyl)propanamide
• Synonyms: 2-methyl-N-{[6-methyl-2-(2-methylphenyl)-3-quinolinyl]methyl}-N-(tetrahydro-2-furanylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.017286
• LogD (pH = 7.4): 6.0211716
• Log P: 6.021221
• Molar Refractivity: 125.0959 cm^3
• Polarizability: 51.1143 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 5.09
• LOG S: -5.11
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 5