4-chloro-2,7-dimethylquinoline

• ChemBase ID: 805198
• Molecular Formular: C11H10ClN
• Molecular Mass: 191.6568
• Monoisotopic Mass: 191.05017701
• SMILES: c1(cc2c(cc1)c(cc(n2)C)Cl)C
• Canonical SMILES: Cc1ccc2c(c1)nc(cc2Cl)C
• InChI: InChI=1S/C11H10ClN/c1-7-3-4-9-10(12)6-8(2)13-11(9)5-7/h3-6H,1-2H3
• InChIKey: HFLSHUULSRGNCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2,7-dimethylquinoline
• IUPAC Traditional name: 4-chloro-2,7-dimethylquinoline
• Synonyms: 4-CHLORO-2,7-DIMETHYLQUINOLINE

Database IDs

• CAS Number: 74949-20-5

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3405566
• LogD (pH = 7.4): 3.37922
• Log P: 3.3797367
• Molar Refractivity: 54.4168 cm^3
• Polarizability: 22.371231 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%