7-methoxyisoquinoline hydrochloride

• ChemBase ID: 263599
• Molecular Formular: C10H10ClNO
• Molecular Mass: 195.6455
• Monoisotopic Mass: 195.04509163
• SMILES: c12cc(ccc1ccnc2)OC.Cl
• Canonical SMILES: COc1ccc2c(c1)cncc2.Cl
• InChI: InChI=1S/C10H9NO.ClH/c1-12-10-3-2-8-4-5-11-7-9(8)6-10;/h2-7H,1H3;1H
• InChIKey: HPGUHUQKFCCPTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxyisoquinoline hydrochloride
• IUPAC Traditional name: 7-methoxyisoquinoline hydrochloride
• Synonyms: 7-methoxyisoquinoline hydrochloride

Database IDs

• MDL Number: MFCD13196133
• PubChem SID: 164319509
• PubChem CID: 45792383

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3655648
• LogD (pH = 7.4): 1.5834529
• Log P: 1.5873789
• Molar Refractivity: 46.8145 cm^3
• Polarizability: 19.510496 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 229 - 231°C
• Hydrophobicity(logP): 2.114

Product Information

• Purity: 95%