4-chloro-2,3,6-trimethylquinoline

• ChemBase ID: 804769
• Molecular Formular: C12H12ClN
• Molecular Mass: 205.68338
• Monoisotopic Mass: 205.06582707
• SMILES: c1cc2c(cc1C)c(c(c(n2)C)C)Cl
• Canonical SMILES: Cc1ccc2c(c1)c(Cl)c(c(n2)C)C
• InChI: InChI=1S/C12H12ClN/c1-7-4-5-11-10(6-7)12(13)8(2)9(3)14-11/h4-6H,1-3H3
• InChIKey: IUQCFVPXSUQQSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2,3,6-trimethylquinoline
• IUPAC Traditional name: 4-chloro-2,3,6-trimethylquinoline
• Synonyms: 4-CHLORO-2,3,6-TRIMETHYLQUINOLINE

Database IDs

• CAS Number: 1203-71-0

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.8454993
• LogD (pH = 7.4): 3.8925233
• Log P: 3.8931582
• Molar Refractivity: 59.458 cm^3
• Polarizability: 24.134085 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%