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

• ChemBase ID: 227714
• Molecular Formular: C18H19NO6
• Molecular Mass: 345.34656
• Monoisotopic Mass: 345.12123733
• SMILES: c12c(cc([nH]c1=O)C)OC(=O)CC2c1c(c(c(cc1)OC)OC)OC
• Canonical SMILES: COc1c(ccc(c1OC)OC)C1CC(=O)Oc2c1c(=O)[nH]c(c2)C
• InChI: InChI=1S/C18H19NO6/c1-9-7-13-15(18(21)19-9)11(8-14(20)25-13)10-5-6-12(22-2)17(24-4)16(10)23-3/h5-7,11H,8H2,1-4H3,(H,19,21)
• InChIKey: RCHCFAKORYPYPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164283624
• PubChem CID: 71754837

CALCULATED PROPERTIES

• Acid pKa: 10.901896
• 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: 34.552433 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