N-[4-(2,5-dimethylphenyl)-8-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl]-2-methoxyacetamide

• ChemBase ID: 390755
• Molecular Formular: C21H24N2O3
• Molecular Mass: 352.42686
• Monoisotopic Mass: 352.17869264
• SMILES: c12c(C(c3c(ccc(c3)C)C)CC(=O)N1)ccc(c2C)NC(=O)COC
• Canonical SMILES: COCC(=O)Nc1ccc2c(c1C)NC(=O)CC2c1cc(C)ccc1C
• InChI: InChI=1S/C21H24N2O3/c1-12-5-6-13(2)16(9-12)17-10-19(24)23-21-14(3)18(8-7-15(17)21)22-20(25)11-26-4/h5-9,17H,10-11H2,1-4H3,(H,22,25)(H,23,24)
• InChIKey: WEDQMLGAGLNQTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(2,5-dimethylphenyl)-8-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl]-2-methoxyacetamide
• IUPAC Traditional name: N-[4-(2,5-dimethylphenyl)-8-methyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-2-methoxyacetamide
• Synonyms: N-[4-(2,5-dimethylphenyl)-8-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl]-2-methoxyacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.838289
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.5412948
• LogD (pH = 7.4): 3.5412934
• Log P: 3.5412948
• Molar Refractivity: 105.2695 cm^3
• Polarizability: 38.614975 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.33
• LOG S: -3.75
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 4