4-[3-(3-ethenylpiperidin-4-yl)propyl]-6-methoxyquinoline

• ChemBase ID: 130155
• Molecular Formular: C20H26N2O
• Molecular Mass: 310.43324
• Monoisotopic Mass: 310.20451346
• SMILES: C=CC1CNCCC1CCCc1c2cc(OC)ccc2ncc1
• Canonical SMILES: C=CC1CNCCC1CCCc1ccnc2c1cc(OC)cc2
• InChI: InChI=1S/C20H26N2O/c1-3-15-14-21-11-9-16(15)5-4-6-17-10-12-22-20-8-7-18(23-2)13-19(17)20/h3,7-8,10,12-13,15-16,21H,1,4-6,9,11,14H2,2H3
• InChIKey: XFXANHWIBFMEOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-(3-ethenylpiperidin-4-yl)propyl]-6-methoxyquinoline
• IUPAC Traditional name: viqualine
• Synonyms: Viqualine

Database IDs

• CAS Number: 72714-74-0
• PubChem SID: 162224439
• PubChem CID: 51669
• Unique Ingredient Identifier: 1Y3A5E2L1J
• Wikipedia Title: Viqualine

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.49321762
• LogD (pH = 7.4): 1.1144232
• Log P: 3.9175537
• Molar Refractivity: 94.7832 cm^3
• Polarizability: 38.441845 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true