4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-amine

• ChemBase ID: 117299
• Molecular Formular: C15H20N4
• Molecular Mass: 256.3461
• Monoisotopic Mass: 256.16879666
• SMILES: c1(nc2c(c(c1)C)cc(N)cc2)N1CCN(CC1)C
• Canonical SMILES: CN1CCN(CC1)c1cc(C)c2c(n1)ccc(c2)N
• InChI: InChI=1S/C15H20N4/c1-11-9-15(19-7-5-18(2)6-8-19)17-14-4-3-12(16)10-13(11)14/h3-4,9-10H,5-8,16H2,1-2H3
• InChIKey: AEYTVTXTVQVNJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-amine
• IUPAC Traditional name: 4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-amine
• Synonyms: 4-Methyl-2-(4-methyl-piperazin-1-yl)-quinolin-6-ylamine

Database IDs

• MDL Number: MFCD11007742
• PubChem SID: 162102749
• PubChem CID: 27478825

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.39914593
• LogD (pH = 7.4): 1.8113158
• Log P: 2.365017
• Molar Refractivity: 80.5131 cm^3
• Polarizability: 31.0288 Å^3
• Polar Surface Area: 45.39 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.651

Product Information

• Purity: 95+%