7-methyl-4-(2-oxo-1,2-dihydroquinolin-3-yl)-2H,3H,4H,5H,6H-pyrano[3,2-c]pyridine-2,5-dione

• ChemBase ID: 227674
• Molecular Formular: C18H14N2O4
• Molecular Mass: 322.31476
• Monoisotopic Mass: 322.09535694
• SMILES: c12c(cc([nH]c1=O)C)OC(=O)CC2c1c(=O)[nH]c2c(c1)cccc2
• Canonical SMILES: O=C1Oc2cc(C)[nH]c(=O)c2C(C1)c1cc2ccccc2[nH]c1=O
• InChI: InChI=1S/C18H14N2O4/c1-9-6-14-16(18(23)19-9)11(8-15(21)24-14)12-7-10-4-2-3-5-13(10)20-17(12)22/h2-7,11H,8H2,1H3,(H,19,23)(H,20,22)
• InChIKey: RKNBNVSQAZEFPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-4-(2-oxo-1,2-dihydroquinolin-3-yl)-2H,3H,4H,5H,6H-pyrano[3,2-c]pyridine-2,5-dione
• IUPAC Traditional name: 7-methyl-4-(2-oxo-1H-quinolin-3-yl)-3H,4H,6H-pyrano[3,2-c]pyridine-2,5-dione

Database IDs

• PubChem SID: 164283584
• PubChem CID: 71754797

CALCULATED PROPERTIES

• Acid pKa: -10.976847
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.5121497
• LogD (pH = 7.4): -1.5098503
• Log P: -2.7688084
• Molar Refractivity: 90.6697 cm^3
• Polarizability: 32.784595 Å^3
• Polar Surface Area: 84.5 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds