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

• ChemBase ID: 226958
• Molecular Formular: C17H15N3O3
• Molecular Mass: 309.3193
• Monoisotopic Mass: 309.11134136
• SMILES: c1(cc(=O)c(cn1C)OC)C(=O)Nc1c2c(nccc2)ccc1
• Canonical SMILES: COc1cn(C)c(cc1=O)C(=O)Nc1cccc2c1cccn2
• InChI: InChI=1S/C17H15N3O3/c1-20-10-16(23-2)15(21)9-14(20)17(22)19-13-7-3-6-12-11(13)5-4-8-18-12/h3-10H,1-2H3,(H,19,22)
• InChIKey: DLGPXGHXQVVNFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164282868
• PubChem CID: 71754102

CALCULATED PROPERTIES

• Acid pKa: 12.65963
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.7205303
• LogD (pH = 7.4): 1.7421006
• Log P: 1.7423856
• Molar Refractivity: 89.1336 cm^3
• Polarizability: 33.558613 Å^3
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds