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

• ChemBase ID: 227786
• Molecular Formular: C33H29NO7
• Molecular Mass: 551.58586
• Monoisotopic Mass: 551.19440227
• SMILES: c1(c(=O)n(c2c(c1)cccc2)CC(C)C)C1c2c3c(c(=O)c(co3)c3ccc(cc3)OC)c(cc2OC(=O)C1)OC
• Canonical SMILES: COc1cc2OC(=O)CC(c2c2c1c(=O)c(co2)c1ccc(cc1)OC)c1cc2ccccc2n(c1=O)CC(C)C
• InChI: InChI=1S/C33H29NO7/c1-18(2)16-34-25-8-6-5-7-20(25)13-23(33(34)37)22-14-28(35)41-27-15-26(39-4)30-31(36)24(17-40-32(30)29(22)27)19-9-11-21(38-3)12-10-19/h5-13,15,17-18,22H,14,16H2,1-4H3
• InChIKey: HYYQSIKXEHRQIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164283696
• PubChem CID: 71754906

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.970365
• LogD (pH = 7.4): 4.9703674
• Log P: 4.9703674
• Molar Refractivity: 153.1047 cm^3
• Polarizability: 58.629192 Å^3
• Polar Surface Area: 91.37 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds