2,5-dichloro-3,8-dimethylquinoline

• ChemBase ID: 805011
• Molecular Formular: C11H9Cl2N
• Molecular Mass: 226.10186
• Monoisotopic Mass: 225.01120465
• SMILES: c1c(c2c(c(c1)Cl)cc(c(n2)Cl)C)C
• Canonical SMILES: Clc1nc2c(C)ccc(c2cc1C)Cl
• InChI: InChI=1S/C11H9Cl2N/c1-6-3-4-9(12)8-5-7(2)11(13)14-10(6)8/h3-5H,1-2H3
• InChIKey: NYMIHGPHXWRAOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dichloro-3,8-dimethylquinoline
• IUPAC Traditional name: 2,5-dichloro-3,8-dimethylquinoline
• Synonyms: 2,5-DICHLORO-3,8-DIMETHYLQUINOLINE

Database IDs

• CAS Number: 948291-23-4

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.5860076
• LogD (pH = 7.4): 4.58601
• Log P: 4.58601
• Molar Refractivity: 60.7326 cm^3
• Polarizability: 24.260967 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%