4-chloro-6,7-dimethylquinoline

• ChemBase ID: 805199
• Molecular Formular: C11H10ClN
• Molecular Mass: 191.6568
• Monoisotopic Mass: 191.05017701
• SMILES: c1(cc2c(cc1C)c(ccn2)Cl)C
• Canonical SMILES: Cc1cc2c(Cl)ccnc2cc1C
• InChI: InChI=1S/C11H10ClN/c1-7-5-9-10(12)3-4-13-11(9)6-8(7)2/h3-6H,1-2H3
• InChIKey: CAQMLALPIYZLFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-6,7-dimethylquinoline
• IUPAC Traditional name: 4-chloro-6,7-dimethylquinoline
• Synonyms: 4-CHLORO-6,7-DIMETHYLQUINOLINE

Database IDs

• CAS Number: 861038-79-1

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7501533
• LogD (pH = 7.4): 3.7616394
• Log P: 3.761788
• Molar Refractivity: 54.8665 cm^3
• Polarizability: 22.369608 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%