2-[(1,6-dimethyl-4-oxo-1,4-dihydropyridin-3-yl)oxy]-N-(7-methoxyquinolin-3-yl)acetamide

• ChemBase ID: 226858
• Molecular Formular: C19H19N3O4
• Molecular Mass: 353.37186
• Monoisotopic Mass: 353.1375561
• SMILES: c1(cn(c(cc1=O)C)C)OCC(=O)Nc1cc2c(nc1)cc(cc2)OC
• Canonical SMILES: COc1ccc2c(c1)ncc(c2)NC(=O)COc1cn(C)c(cc1=O)C
• InChI: InChI=1S/C19H19N3O4/c1-12-6-17(23)18(10-22(12)2)26-11-19(24)21-14-7-13-4-5-15(25-3)8-16(13)20-9-14/h4-10H,11H2,1-3H3,(H,21,24)
• InChIKey: PQJGWYSNIAVSTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1,6-dimethyl-4-oxo-1,4-dihydropyridin-3-yl)oxy]-N-(7-methoxyquinolin-3-yl)acetamide
• IUPAC Traditional name: 2-[(1,6-dimethyl-4-oxopyridin-3-yl)oxy]-N-(7-methoxyquinolin-3-yl)acetamide

Database IDs

• PubChem SID: 164282768
• PubChem CID: 71754006

CALCULATED PROPERTIES

• Acid pKa: 11.983806
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.6248813
• LogD (pH = 7.4): 1.6369762
• Log P: 1.637144
• Molar Refractivity: 100.1952 cm^3
• Polarizability: 37.916798 Å^3
• Polar Surface Area: 80.76 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds