4-chloro-5,7-dimethylquinoline

• ChemBase ID: 807587
• Molecular Formular: C11H10ClN
• Molecular Mass: 191.6568
• Monoisotopic Mass: 191.05017701
• SMILES: c1(cc2c(c(c1)C)c(ccn2)Cl)C
• Canonical SMILES: Cc1cc(C)c2c(c1)nccc2Cl
• InChI: InChI=1S/C11H10ClN/c1-7-5-8(2)11-9(12)3-4-13-10(11)6-7/h3-6H,1-2H3
• InChIKey: DEARECYODQYXRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-5,7-dimethylquinoline
• IUPAC Traditional name: 4-chloro-5,7-dimethylquinoline
• Synonyms: 4-CHLORO-5,7-DIMETHYLQUINOLINE

Database IDs

• CAS Number: 1070879-33-2

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.737021
• LogD (pH = 7.4): 3.7614663
• Log P: 3.761788
• Molar Refractivity: 54.8665 cm^3
• Polarizability: 22.372063 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%