6,7-dimethoxyisoquinolin-5-amine

• ChemBase ID: 274630
• Molecular Formular: C11H12N2O2
• Molecular Mass: 204.22518
• Monoisotopic Mass: 204.08987763
• SMILES: c1(c(c2c(cc1OC)cncc2)N)OC
• Canonical SMILES: COc1cc2cnccc2c(c1OC)N
• InChI: InChI=1S/C11H12N2O2/c1-14-9-5-7-6-13-4-3-8(7)10(12)11(9)15-2/h3-6H,12H2,1-2H3
• InChIKey: IQCCHANVHUPATE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7-dimethoxyisoquinolin-5-amine
• IUPAC Traditional name: 6,7-dimethoxyisoquinolin-5-amine
• Synonyms: 6,7-dimethoxyisoquinolin-5-amine

Database IDs

• MDL Number: MFCD18838918
• PubChem SID: 164330540
• PubChem CID: 54593292

CALCULATED PROPERTIES

• Acid pKa: 18.670624
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.11171333
• LogD (pH = 7.4): 0.5596191
• Log P: 0.6007817
• Molar Refractivity: 57.9781 cm^3
• Polarizability: 23.113588 Å^3
• Polar Surface Area: 57.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.713

Product Information

• Purity: 95%