5-methoxy-4-oxo-N-(quinolin-5-yl)-4H-pyran-2-carboxamide

• ChemBase ID: 226365
• Molecular Formular: C16H12N2O4
• Molecular Mass: 296.27748
• Monoisotopic Mass: 296.07970687
• SMILES: c1(cc(=O)c(co1)OC)C(=O)Nc1c2c(nccc2)ccc1
• Canonical SMILES: COc1coc(cc1=O)C(=O)Nc1cccc2c1cccn2
• InChI: InChI=1S/C16H12N2O4/c1-21-15-9-22-14(8-13(15)19)16(20)18-12-6-2-5-11-10(12)4-3-7-17-11/h2-9H,1H3,(H,18,20)
• InChIKey: MIONFMXESPMRIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-4-oxo-N-(quinolin-5-yl)-4H-pyran-2-carboxamide
• IUPAC Traditional name: 5-methoxy-4-oxo-N-(quinolin-5-yl)pyran-2-carboxamide

Database IDs

• PubChem SID: 164282275
• PubChem CID: 71692306

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• Acid pKa: 11.959137
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.6558584
• LogD (pH = 7.4): 1.6764841
• Log P: 1.6767657
• Molar Refractivity: 82.158 cm^3
• Polarizability: 31.275513 Å^3
• Polar Surface Area: 77.52 Å^2
• Rotatable Bonds: 3

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds