1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline

• ChemBase ID: 195113
• Molecular Formular: C19H21NO4
• Molecular Mass: 327.37434
• Monoisotopic Mass: 327.14705816
• SMILES: C1(=NCCc2c1cc(c(c2)OC)OC)c1cc(c(cc1)OC)OC
• Canonical SMILES: COc1cc(ccc1OC)C1=NCCc2c1cc(OC)c(c2)OC
• InChI: InChI=1S/C19H21NO4/c1-21-15-6-5-13(10-16(15)22-2)19-14-11-18(24-4)17(23-3)9-12(14)7-8-20-19/h5-6,9-11H,7-8H2,1-4H3
• InChIKey: ICSPURBWGBIZCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
• IUPAC Traditional name: 1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline

Database IDs

• PubChem SID: 164251023
• PubChem CID: 429249

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.529155
• LogD (pH = 7.4): 3.064458
• Log P: 3.0781398
• Molar Refractivity: 92.7497 cm^3
• Polarizability: 35.414436 Å^3
• Polar Surface Area: 49.28 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds