N-(6-methoxy-4-{2-[(2-methylprop-2-en-1-yl)oxy]phenyl}-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)acetamide

• ChemBase ID: 489165
• Molecular Formular: C22H24N2O4
• Molecular Mass: 380.43696
• Monoisotopic Mass: 380.17360726
• SMILES: c12c(NC(=O)CC1c1c(OCC(=C)C)cccc1)cc(NC(=O)C)c(c2)OC
• Canonical SMILES: COc1cc2c(cc1NC(=O)C)NC(=O)CC2c1ccccc1OCC(=C)C
• InChI: InChI=1S/C22H24N2O4/c1-13(2)12-28-20-8-6-5-7-15(20)16-10-22(26)24-18-11-19(23-14(3)25)21(27-4)9-17(16)18/h5-9,11,16H,1,10,12H2,2-4H3,(H,23,25)(H,24,26)
• InChIKey: XSDQDXQWVJNLKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(6-methoxy-4-{2-[(2-methylprop-2-en-1-yl)oxy]phenyl}-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)acetamide
• IUPAC Traditional name: N-(6-methoxy-4-{2-[(2-methylprop-2-en-1-yl)oxy]phenyl}-2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide
• Synonyms: N-(6-methoxy-4-{2-[(2-methylprop-2-en-1-yl)oxy]phenyl}-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.416166
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.834421
• LogD (pH = 7.4): 2.8344169
• Log P: 2.834421
• Molar Refractivity: 110.0636 cm^3
• Polarizability: 41.10815 Å^3
• Polar Surface Area: 76.66 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.1
• LOG S: -3.76
• Polar Surface Area: 76.66 Å^2
• Rotatable Bonds: 6