1-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-8,9-dimethoxy-2-methylpyrrolo[2,1-a]isoquinoline

• ChemBase ID: 213167
• Molecular Formular: C28H25NO6
• Molecular Mass: 471.5012
• Monoisotopic Mass: 471.16818753
• SMILES: n12c(c(c(c1C(=O)c1occc1)C)c1cc(c(cc1)OC)OC)c1c(cc2)cc(c(c1)OC)OC
• Canonical SMILES: COc1ccc(cc1OC)c1c(C)c(n2c1c1cc(OC)c(cc1cc2)OC)C(=O)c1ccco1
• InChI: InChI=1S/C28H25NO6/c1-16-25(18-8-9-20(31-2)22(14-18)32-3)27-19-15-24(34-5)23(33-4)13-17(19)10-11-29(27)26(16)28(30)21-7-6-12-35-21/h6-15H,1-5H3
• InChIKey: HZCSJRRWDQEUMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-8,9-dimethoxy-2-methylpyrrolo[2,1-a]isoquinoline
• IUPAC Traditional name: 1-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-8,9-dimethoxy-2-methylpyrrolo[2,1-a]isoquinoline

Database IDs

• PubChem SID: 164269077
• PubChem CID: 4966736

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.568799
• LogD (pH = 7.4): 4.568799
• Log P: 4.568799
• Molar Refractivity: 133.465 cm^3
• Polarizability: 53.68908 Å^3
• Polar Surface Area: 71.54 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds