4-chloro-6,8-dimethylquinoline

• ChemBase ID: 123732
• Molecular Formular: C11H10ClN
• Molecular Mass: 191.6568
• Monoisotopic Mass: 191.05017701
• SMILES: c12c(c(cc(c1)C)C)nccc2Cl
• Canonical SMILES: Cc1cc(C)c2c(c1)c(Cl)ccn2
• InChI: InChI=1S/C11H10ClN/c1-7-5-8(2)11-9(6-7)10(12)3-4-13-11/h3-6H,1-2H3
• InChIKey: OREYGYAAYFXMIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-6,8-dimethylquinoline
• IUPAC Traditional name: 4-chloro-6,8-dimethylquinoline
• Synonyms: 4-chloro-6,8-dimethylquinoline

Database IDs

• CAS Number: 196803-72-2
• MDL Number: MFCD00087699
• PubChem SID: 162218085
• PubChem CID: 17039881

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.756645
• LogD (pH = 7.4): 3.7617228
• Log P: 3.761788
• Molar Refractivity: 54.8665 cm^3
• Polarizability: 22.369432 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%