5-chloro-2,8-dimethylquinoline

• ChemBase ID: 805244
• Molecular Formular: C11H10ClN
• Molecular Mass: 191.6568
• Monoisotopic Mass: 191.05017701
• SMILES: c1c(c2c(c(c1)Cl)ccc(n2)C)C
• Canonical SMILES: Cc1ccc2c(n1)c(C)ccc2Cl
• InChI: InChI=1S/C11H10ClN/c1-7-3-6-10(12)9-5-4-8(2)13-11(7)9/h3-6H,1-2H3
• InChIKey: JGBOIEOODHFKIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2,8-dimethylquinoline
• IUPAC Traditional name: 5-chloro-2,8-dimethylquinoline
• Synonyms: 5-CHLORO-2,8-DIMETHYLQUINOLINE

Database IDs

• CAS Number: 186670-43-9

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3461518
• LogD (pH = 7.4): 3.3792968
• Log P: 3.3797367
• Molar Refractivity: 54.4168 cm^3
• Polarizability: 22.368093 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%