2-(8-methoxy-2-methyl-4-oxo-1,4-dihydroquinolin-1-yl)-N-(3-methoxyphenyl)acetamide

• ChemBase ID: 193036
• Molecular Formular: C20H20N2O4
• Molecular Mass: 352.3838
• Monoisotopic Mass: 352.14230713
• SMILES: n1(c2c(c(=O)cc1C)cccc2OC)CC(=O)Nc1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)NC(=O)Cn1c(C)cc(=O)c2c1c(OC)ccc2
• InChI: InChI=1S/C20H20N2O4/c1-13-10-17(23)16-8-5-9-18(26-3)20(16)22(13)12-19(24)21-14-6-4-7-15(11-14)25-2/h4-11H,12H2,1-3H3,(H,21,24)
• InChIKey: FZYKMJNVTPNEOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(8-methoxy-2-methyl-4-oxo-1,4-dihydroquinolin-1-yl)-N-(3-methoxyphenyl)acetamide
• IUPAC Traditional name: 2-(8-methoxy-2-methyl-4-oxoquinolin-1-yl)-N-(3-methoxyphenyl)acetamide

Database IDs

• PubChem SID: 164248946
• PubChem CID: 1426530

CALCULATED PROPERTIES

• Acid pKa: 13.333852
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.5848777
• LogD (pH = 7.4): 2.5848773
• Log P: 2.5848777
• Molar Refractivity: 102.3609 cm^3
• Polarizability: 37.426746 Å^3
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds