6,7-dimethoxy-2-(piperazin-1-yl)quinolin-4-amine hydrochloride

• ChemBase ID: 812699
• Molecular Formular: C15H21ClN4O2
• Molecular Mass: 324.80584
• Monoisotopic Mass: 324.13530361
• SMILES: Cl.c1(cc2c(cc1OC)c(cc(n2)N1CCNCC1)N)OC
• Canonical SMILES: COc1cc2nc(cc(c2cc1OC)N)N1CCNCC1.Cl
• InChI: InChI=1S/C15H20N4O2.ClH/c1-20-13-7-10-11(16)8-15(19-5-3-17-4-6-19)18-12(10)9-14(13)21-2;/h7-9,17H,3-6H2,1-2H3,(H2,16,18);1H
• InChIKey: MNMUQTBAXDZEAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7-dimethoxy-2-(piperazin-1-yl)quinolin-4-amine hydrochloride
• IUPAC Traditional name: 6,7-dimethoxy-2-(piperazin-1-yl)quinolin-4-amine hydrochloride
• Synonyms: 2-PIPERAZINE-4-AMINO-6,7-DIMETHOXY QUINOLINE HYDROCHLORIDE

Database IDs

• CAS Number: 84050-22-6

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -3.535179
• LogD (pH = 7.4): -0.8445499
• Log P: 1.153205
• Molar Refractivity: 83.1036 cm^3
• Polarizability: 32.405575 Å^3
• Polar Surface Area: 72.64 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%