4-chloro-7,8-dimethylquinoline

• ChemBase ID: 309554
• Molecular Formular: C11H10ClN
• Molecular Mass: 191.6568
• Monoisotopic Mass: 191.05017701
• SMILES: c12c(ccc(c1C)C)c(ccn2)Cl
• Canonical SMILES: Cc1ccc2c(c1C)nccc2Cl
• InChI: InChI=1S/C11H10ClN/c1-7-3-4-9-10(12)5-6-13-11(9)8(7)2/h3-6H,1-2H3
• InChIKey: JVVPYRJTPJOCFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-7,8-dimethylquinoline
• IUPAC Traditional name: 4-chloro-7,8-dimethylquinoline
• Synonyms: 4-chloro-7,8-dimethylquinoline

Database IDs

• CAS Number: 181950-53-8
• MDL Number: MFCD07644544

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.752944
• LogD (pH = 7.4): 3.7616754
• Log P: 3.761788
• Molar Refractivity: 54.8665 cm^3
• Polarizability: 22.370644 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%