2-methoxy-N-{2-oxo-4-[4-(prop-2-en-1-yloxy)phenyl]-1,2,3,4-tetrahydroquinolin-7-yl}acetamide

• ChemBase ID: 580908
• Molecular Formular: C21H22N2O4
• Molecular Mass: 366.41038
• Monoisotopic Mass: 366.15795719
• SMILES: c12NC(=O)CC(c1ccc(c2)NC(=O)COC)c1ccc(cc1)OCC=C
• Canonical SMILES: COCC(=O)Nc1ccc2c(c1)NC(=O)CC2c1ccc(cc1)OCC=C
• InChI: InChI=1S/C21H22N2O4/c1-3-10-27-16-7-4-14(5-8-16)18-12-20(24)23-19-11-15(6-9-17(18)19)22-21(25)13-26-2/h3-9,11,18H,1,10,12-13H2,2H3,(H,22,25)(H,23,24)
• InChIKey: UJNKXQGQFBCJFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-N-{2-oxo-4-[4-(prop-2-en-1-yloxy)phenyl]-1,2,3,4-tetrahydroquinolin-7-yl}acetamide
• IUPAC Traditional name: 2-methoxy-N-{2-oxo-4-[4-(prop-2-en-1-yloxy)phenyl]-3,4-dihydro-1H-quinolin-7-yl}acetamide
• Synonyms: N-{4-[4-(allyloxy)phenyl]-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl}-2-methoxyacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.699562
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.5746093
• LogD (pH = 7.4): 2.5746071
• Log P: 2.5746093
• Molar Refractivity: 105.7718 cm^3
• Polarizability: 39.283463 Å^3
• Polar Surface Area: 76.66 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.22
• LOG S: -3.77
• Polar Surface Area: 76.66 Å^2
• Rotatable Bonds: 7