7-chloro-8-methyl-4-(piperidin-1-yl)quinoline

• ChemBase ID: 290948
• Molecular Formular: C15H17ClN2
• Molecular Mass: 260.76188
• Monoisotopic Mass: 260.10802623
• SMILES: Cc1c2nccc(N3CCCCC3)c2ccc1Cl
• Canonical SMILES: Clc1ccc2c(c1C)nccc2N1CCCCC1
• InChI: InChI=1S/C15H17ClN2/c1-11-13(16)6-5-12-14(7-8-17-15(11)12)18-9-3-2-4-10-18/h5-8H,2-4,9-10H2,1H3
• InChIKey: ITPJKYOGOLBIFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloro-8-methyl-4-(piperidin-1-yl)quinoline
• IUPAC Traditional name: 7-chloro-8-methyl-4-(piperidin-1-yl)quinoline
• Synonyms: 7-Chloro-8-methyl-4-(piperidin-1-yl)quinoline

Database IDs

• CAS Number: 1072944-74-1
• PubChem SID: 180676479
• PubChem CID: 46739110

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0070026
• LogD (pH = 7.4): 3.9971104
• Log P: 4.2067766
• Molar Refractivity: 76.3959 cm^3
• Polarizability: 30.204636 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%