2-methyl-4-(piperazin-1-yl)quinoline hydrochloride

• ChemBase ID: 806604
• Molecular Formular: C14H18ClN3
• Molecular Mass: 263.76582
• Monoisotopic Mass: 263.11892527
• SMILES: Cl.c1cc2c(cc1)c(cc(n2)C)N1CCNCC1
• Canonical SMILES: Cc1cc(N2CCNCC2)c2c(n1)cccc2.Cl
• InChI: InChI=1S/C14H17N3.ClH/c1-11-10-14(17-8-6-15-7-9-17)12-4-2-3-5-13(12)16-11;/h2-5,10,15H,6-9H2,1H3;1H
• InChIKey: HEBBGXFCWZQCNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-4-(piperazin-1-yl)quinoline hydrochloride
• IUPAC Traditional name: 2-methyl-4-(piperazin-1-yl)quinoline hydrochloride
• Synonyms: 2-METHYL-4-(PIPERAZIN-1-YL)QUINOLINE HYDROCHLORIDE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.9228487
• LogD (pH = 7.4): -0.763653
• Log P: 1.8343861
• Molar Refractivity: 69.7548 cm^3
• Polarizability: 28.074211 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%