4,8-dichloro-5-methoxy-2-methylquinoline

• ChemBase ID: 275712
• Molecular Formular: C11H9Cl2NO
• Molecular Mass: 242.10126
• Monoisotopic Mass: 241.00611927
• SMILES: c12c(nc(cc1Cl)C)c(ccc2OC)Cl
• Canonical SMILES: COc1ccc(c2c1c(Cl)cc(n2)C)Cl
• InChI: InChI=1S/C11H9Cl2NO/c1-6-5-8(13)10-9(15-2)4-3-7(12)11(10)14-6/h3-5H,1-2H3
• InChIKey: ADYQOPXQIXGZBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,8-dichloro-5-methoxy-2-methylquinoline
• IUPAC Traditional name: 4,8-dichloro-5-methoxy-2-methylquinoline
• Synonyms: 4,8-dichloro-5-methoxy-2-methylquinoline

Database IDs

• MDL Number: MFCD12675059
• PubChem SID: 164331622
• PubChem CID: 45599441

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.310578
• LogD (pH = 7.4): 3.3126621
• Log P: 3.3126888
• Molar Refractivity: 60.6436 cm^3
• Polarizability: 24.990568 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.309

Product Information

• Purity: 95%