2-(8-methoxy-2-methyl-4-oxo-1,4-dihydroquinolin-1-yl)acetamide

• ChemBase ID: 190901
• Molecular Formular: C13H14N2O3
• Molecular Mass: 246.26186
• Monoisotopic Mass: 246.10044232
• SMILES: n1(c2c(c(=O)cc1C)cccc2OC)CC(=O)N
• Canonical SMILES: COc1cccc2c1n(CC(=O)N)c(cc2=O)C
• InChI: InChI=1S/C13H14N2O3/c1-8-6-10(16)9-4-3-5-11(18-2)13(9)15(8)7-12(14)17/h3-6H,7H2,1-2H3,(H2,14,17)
• InChIKey: AZGXSDYUVJCKOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(8-methoxy-2-methyl-4-oxo-1,4-dihydroquinolin-1-yl)acetamide
• IUPAC Traditional name: 2-(8-methoxy-2-methyl-4-oxoquinolin-1-yl)acetamide

Database IDs

• PubChem SID: 164246811
• PubChem CID: 895786

CALCULATED PROPERTIES

• Acid pKa: 15.710737
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.50130445
• LogD (pH = 7.4): 0.5013045
• Log P: 0.5013045
• Molar Refractivity: 69.4426 cm^3
• Polarizability: 25.341036 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