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

• ChemBase ID: 227449
• Molecular Formular: C19H16N2O5
• Molecular Mass: 352.34074
• Monoisotopic Mass: 352.10592162
• SMILES: c12c(cc([nH]c1=O)C)OC(=O)CC2c1c(=O)[nH]c2c(c1)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)[nH]c(=O)c(c2)C1CC(=O)Oc2c1c(=O)[nH]c(c2)C
• InChI: InChI=1S/C19H16N2O5/c1-9-5-15-17(19(24)20-9)12(8-16(22)26-15)13-6-10-3-4-11(25-2)7-14(10)21-18(13)23/h3-7,12H,8H2,1-2H3,(H,20,24)(H,21,23)
• InChIKey: AAEYWCVETFKZKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164283359
• PubChem CID: 71754579

CALCULATED PROPERTIES

• Acid pKa: -10.980435
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.6697266
• LogD (pH = 7.4): -1.6675209
• Log P: -2.9099476
• Molar Refractivity: 97.1329 cm^3
• Polarizability: 35.323685 Å^3
• Polar Surface Area: 93.73 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds