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

• ChemBase ID: 188190
• Molecular Formular: C19H19NO2
• Molecular Mass: 293.35966
• Monoisotopic Mass: 293.14157885
• SMILES: c1(c2c(cc(c(c2)OC)OC)cc(n1)C)Cc1ccccc1
• Canonical SMILES: COc1cc2c(Cc3ccccc3)nc(cc2cc1OC)C
• InChI: InChI=1S/C19H19NO2/c1-13-9-15-11-18(21-2)19(22-3)12-16(15)17(20-13)10-14-7-5-4-6-8-14/h4-9,11-12H,10H2,1-3H3
• InChIKey: BJQHXFQPDLHMNB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164244100
• PubChem CID: 933745

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.4051704
• LogD (pH = 7.4): 3.454634
• Log P: 3.5267878
• Molar Refractivity: 87.1826 cm^3
• Polarizability: 35.147873 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds