2-(6-methoxy-2-methyl-4-oxo-1,4-dihydroquinolin-1-yl)acetamide

• ChemBase ID: 190929
• Molecular Formular: C13H14N2O3
• Molecular Mass: 246.26186
• Monoisotopic Mass: 246.10044232
• SMILES: n1(c2c(c(=O)cc1C)cc(cc2)OC)CC(=O)N
• Canonical SMILES: COc1ccc2c(c1)c(=O)cc(n2CC(=O)N)C
• InChI: InChI=1S/C13H14N2O3/c1-8-5-12(16)10-6-9(18-2)3-4-11(10)15(8)7-13(14)17/h3-6H,7H2,1-2H3,(H2,14,17)
• InChIKey: RODQBOZOZQFHPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6-methoxy-2-methyl-4-oxo-1,4-dihydroquinolin-1-yl)acetamide
• IUPAC Traditional name: 2-(6-methoxy-2-methyl-4-oxoquinolin-1-yl)acetamide

Database IDs

• PubChem SID: 164246839
• PubChem CID: 905546

CALCULATED PROPERTIES

• Acid pKa: 15.694196
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.5013031
• LogD (pH = 7.4): 0.50130445
• Log P: 0.5013045
• Molar Refractivity: 69.4426 cm^3
• Polarizability: 25.339384 Å^3
• Polar Surface Area: 72.63 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds