2-oxo-N-(quinolin-6-yl)-2H-pyran-5-carboxamide

• ChemBase ID: 193292
• Molecular Formular: C15H10N2O3
• Molecular Mass: 266.2515
• Monoisotopic Mass: 266.06914219
• SMILES: c1(C(=O)Nc2cc3c(nccc3)cc2)coc(=O)cc1
• Canonical SMILES: O=c1ccc(co1)C(=O)Nc1ccc2c(c1)cccn2
• InChI: InChI=1S/C15H10N2O3/c18-14-6-3-11(9-20-14)15(19)17-12-4-5-13-10(8-12)2-1-7-16-13/h1-9H,(H,17,19)
• InChIKey: DTGIVODXYFLRFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-oxo-N-(quinolin-6-yl)-2H-pyran-5-carboxamide
• IUPAC Traditional name: 6-oxo-N-(quinolin-6-yl)pyran-3-carboxamide

Database IDs

• PubChem SID: 164249202
• PubChem CID: 906501

CALCULATED PROPERTIES

• Acid pKa: 13.693753
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7356302
• LogD (pH = 7.4): 1.7725391
• Log P: 1.7730329
• Molar Refractivity: 74.2933 cm^3
• Polarizability: 28.73699 Å^3
• Polar Surface Area: 68.29 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds