5-methoxy-4-oxo-N-(quinolin-5-yl)-1,4-dihydropyridine-2-carboxamide

• ChemBase ID: 226393
• Molecular Formular: C16H13N3O3
• Molecular Mass: 295.29272
• Monoisotopic Mass: 295.09569129
• SMILES: c1(cc(=O)c(c[nH]1)OC)C(=O)Nc1c2c(nccc2)ccc1
• Canonical SMILES: COc1c[nH]c(cc1=O)C(=O)Nc1cccc2c1cccn2
• InChI: InChI=1S/C16H13N3O3/c1-22-15-9-18-13(8-14(15)20)16(21)19-12-6-2-5-11-10(12)4-3-7-17-11/h2-9H,1H3,(H,18,20)(H,19,21)
• InChIKey: KWGIXNHGKDKCJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-4-oxo-N-(quinolin-5-yl)-1,4-dihydropyridine-2-carboxamide
• IUPAC Traditional name: 5-methoxy-4-oxo-N-(quinolin-5-yl)-1H-pyridine-2-carboxamide

Database IDs

• PubChem SID: 164282303
• PubChem CID: 71692334

CALCULATED PROPERTIES

• Molar Refractivity: 83.8389 cm^3
• Polarizability: 31.716988 Å^3
• Polar Surface Area: 80.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 6.6627965
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.3099056
• LogD (pH = 7.4): 0.6482695
• Log P: 1.3593377

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds