N-[4-(2H-1,3-benzodioxol-4-yl)-6-methoxy-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl]-2-methoxyacetamide

• ChemBase ID: 346328
• Molecular Formular: C20H20N2O6
• Molecular Mass: 384.3826
• Monoisotopic Mass: 384.13213637
• SMILES: c12C(c3c4OCOc4ccc3)CC(=O)Nc1cc(NC(=O)COC)c(c2)OC
• Canonical SMILES: COCC(=O)Nc1cc2NC(=O)CC(c2cc1OC)c1cccc2c1OCO2
• InChI: InChI=1S/C20H20N2O6/c1-25-9-19(24)22-15-8-14-13(6-17(15)26-2)12(7-18(23)21-14)11-4-3-5-16-20(11)28-10-27-16/h3-6,8,12H,7,9-10H2,1-2H3,(H,21,23)(H,22,24)
• InChIKey: ZATNRNYLSZDCPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(2H-1,3-benzodioxol-4-yl)-6-methoxy-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl]-2-methoxyacetamide
• IUPAC Traditional name: N-[4-(2H-1,3-benzodioxol-4-yl)-6-methoxy-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-2-methoxyacetamide
• Synonyms: N-[4-(1,3-benzodioxol-4-yl)-6-methoxy-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl]-2-methoxyacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.512204
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 1.4665926
• LogD (pH = 7.4): 1.4665611
• Log P: 1.4665929
• Molar Refractivity: 102.376 cm^3
• Polarizability: 38.37286 Å^3
• Polar Surface Area: 95.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 0.62
• LOG S: -2.54
• Polar Surface Area: 95.12 Å^2
• Rotatable Bonds: 5