6',7'-dimethoxy-4'H-spiro[cyclopentane-1,3'-isoquinoline] hydrochloride

• ChemBase ID: 181564
• Molecular Formular: C15H20ClNO2
• Molecular Mass: 281.7778
• Monoisotopic Mass: 281.11825657
• SMILES: N1=Cc2c(cc(c(c2)OC)OC)CC21CCCC2.Cl
• Canonical SMILES: COc1cc2CC3(CCCC3)N=Cc2cc1OC.Cl
• InChI: InChI=1S/C15H19NO2.ClH/c1-17-13-7-11-9-15(5-3-4-6-15)16-10-12(11)8-14(13)18-2;/h7-8,10H,3-6,9H2,1-2H3;1H
• InChIKey: UIQMGBPJOQCUPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6',7'-dimethoxy-4'H-spiro[cyclopentane-1,3'-isoquinoline] hydrochloride
• IUPAC Traditional name: 6',7'-dimethoxy-4'H-spiro[cyclopentane-1,3'-isoquinoline] hydrochloride

Database IDs

• PubChem SID: 164237474
• PubChem CID: 2853464

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.378006
• LogD (pH = 7.4): 2.9115016
• Log P: 2.9251022
• Molar Refractivity: 72.1346 cm^3
• Polarizability: 27.43305 Å^3
• Polar Surface Area: 30.82 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl
• Classification: Derivatives & analogs of Natural Compounds