1,2-bis(3,4-dimethoxyphenyl)-8,9-dimethoxypyrrolo[2,1-a]isoquinoline

• ChemBase ID: 193166
• Molecular Formular: C30H29NO6
• Molecular Mass: 499.55436
• Monoisotopic Mass: 499.19948765
• SMILES: c12c(c(cn1ccc1c2cc(c(c1)OC)OC)c1cc(c(cc1)OC)OC)c1cc(c(cc1)OC)OC
• Canonical SMILES: COc1ccc(cc1OC)c1c(cn2c1c1cc(OC)c(cc1cc2)OC)c1ccc(c(c1)OC)OC
• InChI: InChI=1S/C30H29NO6/c1-32-23-9-7-18(13-25(23)34-3)22-17-31-12-11-19-14-27(36-5)28(37-6)16-21(19)30(31)29(22)20-8-10-24(33-2)26(15-20)35-4/h7-17H,1-6H3
• InChIKey: UFORGNMCHWUXFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-bis(3,4-dimethoxyphenyl)-8,9-dimethoxypyrrolo[2,1-a]isoquinoline
• IUPAC Traditional name: 1,2-bis(3,4-dimethoxyphenyl)-8,9-dimethoxypyrrolo[2,1-a]isoquinoline

Database IDs

• PubChem SID: 164249076
• PubChem CID: 1792771

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.9476595
• LogD (pH = 7.4): 4.9476595
• Log P: 4.9476595
• Molar Refractivity: 143.6425 cm^3
• Polarizability: 59.45372 Å^3
• Polar Surface Area: 59.79 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds