4-chloro-6-methoxy-2-methylquinoline hydrochloride

• ChemBase ID: 273759
• Molecular Formular: C11H11Cl2NO
• Molecular Mass: 244.11714
• Monoisotopic Mass: 243.02176934
• SMILES: c12c(nc(cc1Cl)C)ccc(c2)OC.Cl
• Canonical SMILES: COc1ccc2c(c1)c(Cl)cc(n2)C.Cl
• InChI: InChI=1S/C11H10ClNO.ClH/c1-7-5-10(12)9-6-8(14-2)3-4-11(9)13-7;/h3-6H,1-2H3;1H
• InChIKey: OCBSWFOOQQLDAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-6-methoxy-2-methylquinoline hydrochloride
• IUPAC Traditional name: 4-chloro-6-methoxy-2-methylquinoline hydrochloride
• Synonyms: 4-chloro-6-methoxy-2-methylquinoline hydrochloride

Database IDs

• MDL Number: MFCD00451825
• PubChem SID: 164329669
• PubChem CID: 19822133

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.6902711
• LogD (pH = 7.4): 2.7084076
• Log P: 2.7086442
• Molar Refractivity: 55.8388 cm^3
• Polarizability: 23.095636 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.573

Product Information

• Purity: 95%