1-benzyl-6,7-dimethoxy-3-phenylisoquinoline

• ChemBase ID: 185788
• Molecular Formular: C24H21NO2
• Molecular Mass: 355.42904
• Monoisotopic Mass: 355.15722892
• SMILES: n1c(c2c(cc1c1ccccc1)cc(c(c2)OC)OC)Cc1ccccc1
• Canonical SMILES: COc1cc2c(Cc3ccccc3)nc(cc2cc1OC)c1ccccc1
• InChI: InChI=1S/C24H21NO2/c1-26-23-15-19-14-21(18-11-7-4-8-12-18)25-22(20(19)16-24(23)27-2)13-17-9-5-3-6-10-17/h3-12,14-16H,13H2,1-2H3
• InChIKey: RNOONWHAFUQJMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-6,7-dimethoxy-3-phenylisoquinoline
• IUPAC Traditional name: 1-benzyl-6,7-dimethoxy-3-phenylisoquinoline

Database IDs

• PubChem SID: 164241698
• PubChem CID: 1119275

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.230912
• LogD (pH = 7.4): 5.425333
• Log P: 5.4284935
• Molar Refractivity: 107.3553 cm^3
• Polarizability: 44.455402 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds