7-chloro-2,4-dimethylquinoline

• ChemBase ID: 816035
• Molecular Formular: C11H10ClN
• Molecular Mass: 191.6568
• Monoisotopic Mass: 191.05017701
• SMILES: c1(cc2c(cc1)c(cc(n2)C)C)Cl
• Canonical SMILES: Clc1ccc2c(c1)nc(cc2C)C
• InChI: InChI=1S/C11H10ClN/c1-7-5-8(2)13-11-6-9(12)3-4-10(7)11/h3-6H,1-2H3
• InChIKey: ZUQZYIPMTITDFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 88499-96-1

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.2448597
• LogD (pH = 7.4): 3.3777387
• Log P: 3.3797367
• Molar Refractivity: 54.4168 cm^3
• Polarizability: 22.360346 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%