7-chloro-2,8-dimethylquinoline

• ChemBase ID: 805306
• Molecular Formular: C11H10ClN
• Molecular Mass: 191.6568
• Monoisotopic Mass: 191.05017701
• SMILES: c1(c(c2c(cc1)ccc(n2)C)C)Cl
• Canonical SMILES: Cc1ccc2c(n1)c(C)c(cc2)Cl
• InChI: InChI=1S/C11H10ClN/c1-7-3-4-9-5-6-10(12)8(2)11(9)13-7/h3-6H,1-2H3
• InChIKey: FXDITTUYSNDPFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloro-2,8-dimethylquinoline
• IUPAC Traditional name: 7-chloro-2,8-dimethylquinoline
• Synonyms: 7-CHLORO-2,8-DIMETHYLQUINOLINE

Database IDs

• CAS Number: 120370-62-9

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.352034
• LogD (pH = 7.4): 3.3793764
• Log P: 3.3797367
• Molar Refractivity: 54.4168 cm^3
• Polarizability: 22.362986 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%