8,9-dimethoxy-2-phenyl-5H,6H-pyrrolo[2,1-a]isoquinoline

• ChemBase ID: 211582
• Molecular Formular: C20H19NO2
• Molecular Mass: 305.37036
• Monoisotopic Mass: 305.14157885
• SMILES: c12n(cc(c1)c1ccccc1)CCc1c2cc(c(c1)OC)OC
• Canonical SMILES: COc1cc2c(cc1OC)CCn1c2cc(c1)c1ccccc1
• InChI: InChI=1S/C20H19NO2/c1-22-19-11-15-8-9-21-13-16(14-6-4-3-5-7-14)10-18(21)17(15)12-20(19)23-2/h3-7,10-13H,8-9H2,1-2H3
• InChIKey: ZFHIWADTJXSVRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8,9-dimethoxy-2-phenyl-5H,6H-pyrrolo[2,1-a]isoquinoline
• IUPAC Traditional name: 8,9-dimethoxy-2-phenyl-5H,6H-pyrrolo[2,1-a]isoquinoline

Database IDs

• PubChem SID: 164267492
• PubChem CID: 4838655

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.2158036
• LogD (pH = 7.4): 4.2158036
• Log P: 4.2158036
• Molar Refractivity: 92.0994 cm^3
• Polarizability: 37.874844 Å^3
• Polar Surface Area: 23.39 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds