6,7-dimethoxy-1,3-dimethylisoquinoline

• ChemBase ID: 188077
• Molecular Formular: C13H15NO2
• Molecular Mass: 217.2637
• Monoisotopic Mass: 217.11027873
• SMILES: c12c(cc(c(c2)OC)OC)cc(nc1C)C
• Canonical SMILES: COc1cc2cc(C)nc(c2cc1OC)C
• InChI: InChI=1S/C13H15NO2/c1-8-5-10-6-12(15-3)13(16-4)7-11(10)9(2)14-8/h5-7H,1-4H3
• InChIKey: FQOYKQIFBOPUNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164243987
• PubChem CID: 767404

CALCULATED PROPERTIES

• Polarizability: 25.51581 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.0065184855
• LogD (pH = 7.4): 1.2918663
• Log P: 1.6924479
• Molar Refractivity: 62.4607 cm^3

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds