4-chloro-8-methoxyquinoline

• ChemBase ID: 123174
• Molecular Formular: C10H8ClNO
• Molecular Mass: 193.62962
• Monoisotopic Mass: 193.02944156
• SMILES: c12c(nccc1Cl)c(OC)ccc2
• Canonical SMILES: COc1cccc2c1nccc2Cl
• InChI: InChI=1S/C10H8ClNO/c1-13-9-4-2-3-7-8(11)5-6-12-10(7)9/h2-6H,1H3
• InChIKey: LCYDNBWXXPOMQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-8-methoxyquinoline
• IUPAC Traditional name: 4-chloro-8-methoxyquinoline
• Synonyms: 4-Chloro-8-methoxyquinoline; 4-chloro-8-methoxyquinoline

Database IDs

• CAS Number: 16778-21-5
• PubChem SID: 162217527
• PubChem CID: 12336662

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.577201
• LogD (pH = 7.4): 2.577273
• Log P: 2.5772738
• Molar Refractivity: 51.2473 cm^3
• Polarizability: 21.33694 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: -20°C Freezer

Product Information

• Purity: 95+%; 98%

DETAILS

Toronto Research Chemicals - C368780

A potent selective CRTh2(DP2) antagonist, as potential treatments for asthma, allergic rhinitis and other inflammatory diseases.

REFERENCES

• Coleman, R., et al.: Pharmacol. Rev., 46, 205 (1994)
• Hirai, H., et al.: J. Exp. Med., 193, 255 (1994)
• Hirai, H., et al.: J. Immunol., 168, 981 (2002)