5-chloro-2,4,8-trimethylquinoline

• ChemBase ID: 816046
• Molecular Formular: C12H12ClN
• Molecular Mass: 205.68338
• Monoisotopic Mass: 205.06582707
• SMILES: c1c(c2c(c(c1)Cl)c(cc(n2)C)C)C
• Canonical SMILES: Cc1cc(C)c2c(n1)c(C)ccc2Cl
• InChI: InChI=1S/C12H12ClN/c1-7-4-5-10(13)11-8(2)6-9(3)14-12(7)11/h4-6H,1-3H3
• InChIKey: QOEBXFHTABSRPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2,4,8-trimethylquinoline
• IUPAC Traditional name: 5-chloro-2,4,8-trimethylquinoline
• Synonyms: 5-CHLORO-2,4,8-TRIMETHYLQUINOLINE

Database IDs

• CAS Number: 105908-43-8

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7056174
• LogD (pH = 7.4): 3.8901904
• Log P: 3.8931582
• Molar Refractivity: 59.458 cm^3
• Polarizability: 24.13263 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%