5-methoxy-10-(7-methoxy-1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)-3-(4-methoxyphenyl)-4H,8H,9H,10H-pyrano[2,3-h]chromene-4,8-dione

• ChemBase ID: 227817
• Molecular Formular: C31H25NO8
• Molecular Mass: 539.5321
• Monoisotopic Mass: 539.15801677
• SMILES: c1(c(=O)n(c2c(c1)ccc(c2)OC)C)C1c2c3c(c(=O)c(co3)c3ccc(cc3)OC)c(cc2OC(=O)C1)OC
• Canonical SMILES: COc1ccc(cc1)c1coc2c(c1=O)c(OC)cc1c2C(CC(=O)O1)c1cc2ccc(cc2n(c1=O)C)OC
• InChI: InChI=1S/C31H25NO8/c1-32-23-12-19(37-3)10-7-17(23)11-21(31(32)35)20-13-26(33)40-25-14-24(38-4)28-29(34)22(15-39-30(28)27(20)25)16-5-8-18(36-2)9-6-16/h5-12,14-15,20H,13H2,1-4H3
• InChIKey: OYLLBLZZPZNZBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-10-(7-methoxy-1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)-3-(4-methoxyphenyl)-4H,8H,9H,10H-pyrano[2,3-h]chromene-4,8-dione
• IUPAC Traditional name: 5-methoxy-10-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-3-(4-methoxyphenyl)-9H,10H-pyrano[2,3-h]chromene-4,8-dione

Database IDs

• PubChem SID: 164283727
• PubChem CID: 71754936

CALCULATED PROPERTIES

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 3.5683928
• LogD (pH = 7.4): 3.568393
• Log P: 3.568393
• Molar Refractivity: 145.8237 cm^3
• Polarizability: 55.64468 Å^3
• Polar Surface Area: 100.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds