1-methyl-2-oxo-N-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)-1,2-dihydroquinoline-4-carboxamide

• ChemBase ID: 227955
• Molecular Formular: C19H14N2O4
• Molecular Mass: 334.32546
• Monoisotopic Mass: 334.09535694
• SMILES: c1(cc(=O)n(c2c1cccc2)C)C(=O)Nc1cc2c(C(=O)OC2)cc1
• Canonical SMILES: O=C(c1cc(=O)n(c2c1cccc2)C)Nc1ccc2c(c1)COC2=O
• InChI: InChI=1S/C19H14N2O4/c1-21-16-5-3-2-4-14(16)15(9-17(21)22)18(23)20-12-6-7-13-11(8-12)10-25-19(13)24/h2-9H,10H2,1H3,(H,20,23)
• InChIKey: AFHYVYKLGPWCIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-2-oxo-N-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)-1,2-dihydroquinoline-4-carboxamide
• IUPAC Traditional name: 1-methyl-2-oxo-N-(1-oxo-3H-2-benzofuran-5-yl)quinoline-4-carboxamide

Database IDs

• PubChem SID: 164283865
• PubChem CID: 71755075

CALCULATED PROPERTIES

• Acid pKa: 13.02172
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.9413017
• LogD (pH = 7.4): 1.9413007
• Log P: 1.9413018
• Molar Refractivity: 93.2515 cm^3
• Polarizability: 34.31822 Å^3
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds