2-chloro-3,5,7-trimethylquinoline

• ChemBase ID: 805122
• Molecular Formular: C12H12ClN
• Molecular Mass: 205.68338
• Monoisotopic Mass: 205.06582707
• SMILES: c1(cc2c(c(c1)C)cc(c(n2)Cl)C)C
• Canonical SMILES: Cc1cc(C)c2c(c1)nc(c(c2)C)Cl
• InChI: InChI=1S/C12H12ClN/c1-7-4-8(2)10-6-9(3)12(13)14-11(10)5-7/h4-6H,1-3H3
• InChIKey: PGABXCFCTRGSPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3,5,7-trimethylquinoline
• IUPAC Traditional name: 2-chloro-3,5,7-trimethylquinoline
• Synonyms: 2-CHLORO-3,5,7-TRIMETHYLQUINOLINE

Database IDs

• CAS Number: 948290-35-5

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.495305
• LogD (pH = 7.4): 4.4953856
• Log P: 4.4953866
• Molar Refractivity: 60.969 cm^3
• Polarizability: 24.188515 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%