3-(2,4-dimethoxyphenyl)-6,7-dimethoxyisoquinoline

• ChemBase ID: 185320
• Molecular Formular: C19H19NO4
• Molecular Mass: 325.35846
• Monoisotopic Mass: 325.13140809
• SMILES: c1(c2ncc3c(c2)cc(c(c3)OC)OC)c(cc(cc1)OC)OC
• Canonical SMILES: COc1ccc(c(c1)OC)c1ncc2c(c1)cc(c(c2)OC)OC
• InChI: InChI=1S/C19H19NO4/c1-21-14-5-6-15(17(10-14)22-2)16-7-12-8-18(23-3)19(24-4)9-13(12)11-20-16/h5-11H,1-4H3
• InChIKey: VZNZMEVXHMJJSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,4-dimethoxyphenyl)-6,7-dimethoxyisoquinoline
• IUPAC Traditional name: 3-(2,4-dimethoxyphenyl)-6,7-dimethoxyisoquinoline

Database IDs

• PubChem SID: 164241230
• PubChem CID: 928930

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.0701234
• LogD (pH = 7.4): 3.1463692
• Log P: 3.1474407
• Molar Refractivity: 90.9683 cm^3
• Polarizability: 37.988773 Å^3
• Polar Surface Area: 49.81 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds