1-(3,4-dimethoxyphenyl)-8,9-dimethoxy-2-(4-methoxyphenyl)pyrrolo[2,1-a]isoquinoline

• ChemBase ID: 209460
• Molecular Formular: C29H27NO5
• Molecular Mass: 469.52838
• Monoisotopic Mass: 469.18892297
• SMILES: c12c(c(cn1ccc1c2cc(c(c1)OC)OC)c1ccc(cc1)OC)c1cc(c(cc1)OC)OC
• Canonical SMILES: COc1ccc(cc1)c1cn2c(c1c1ccc(c(c1)OC)OC)c1cc(OC)c(cc1cc2)OC
• InChI: InChI=1S/C29H27NO5/c1-31-21-9-6-18(7-10-21)23-17-30-13-12-19-14-26(34-4)27(35-5)16-22(19)29(30)28(23)20-8-11-24(32-2)25(15-20)33-3/h6-17H,1-5H3
• InChIKey: KOPOCNVUSYAIQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164265370
• PubChem CID: 1786667

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 5.105331
• LogD (pH = 7.4): 5.105331
• Log P: 5.105331
• Molar Refractivity: 137.1793 cm^3
• Polarizability: 56.979904 Å^3
• Polar Surface Area: 50.56 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds