7-methyl-4-(2,4,5-trimethoxyphenyl)-2H,3H,4H,5H,6H-pyrano[3,2-c]pyridine-2,5-dione

• ChemBase ID: 227810
• Molecular Formular: C18H19NO6
• Molecular Mass: 345.34656
• Monoisotopic Mass: 345.12123733
• SMILES: c12c(cc([nH]c1=O)C)OC(=O)CC2c1c(cc(c(c1)OC)OC)OC
• Canonical SMILES: COc1cc(OC)c(cc1C1CC(=O)Oc2c1c(=O)[nH]c(c2)C)OC
• InChI: InChI=1S/C18H19NO6/c1-9-5-15-17(18(21)19-9)11(7-16(20)25-15)10-6-13(23-3)14(24-4)8-12(10)22-2/h5-6,8,11H,7H2,1-4H3,(H,19,21)
• InChIKey: CSJUDTAXPPOSEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-4-(2,4,5-trimethoxyphenyl)-2H,3H,4H,5H,6H-pyrano[3,2-c]pyridine-2,5-dione
• IUPAC Traditional name: 7-methyl-4-(2,4,5-trimethoxyphenyl)-3H,4H,6H-pyrano[3,2-c]pyridine-2,5-dione

Database IDs

• PubChem SID: 164283720
• PubChem CID: 71754929

CALCULATED PROPERTIES

• Acid pKa: 10.90192
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.86634684
• LogD (pH = 7.4): 0.86622727
• Log P: 0.8663484
• Molar Refractivity: 91.5222 cm^3
• Polarizability: 34.550114 Å^3
• Polar Surface Area: 83.09 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds