2-chloro-4,6-dimethoxyquinoline

• ChemBase ID: 804505
• Molecular Formular: C11H10ClNO2
• Molecular Mass: 223.6556
• Monoisotopic Mass: 223.04000625
• SMILES: c1cc2c(cc1OC)c(cc(n2)Cl)OC
• Canonical SMILES: COc1cc(Cl)nc2c1cc(OC)cc2
• InChI: InChI=1S/C11H10ClNO2/c1-14-7-3-4-9-8(5-7)10(15-2)6-11(12)13-9/h3-6H,1-2H3
• InChIKey: YTZHPKKVXBRSPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4,6-dimethoxyquinoline
• IUPAC Traditional name: 2-chloro-4,6-dimethoxyquinoline
• Synonyms: 2-CHLORO-4,6-DIMETHOXYQUINOLINE

Database IDs

• CAS Number: 952435-01-7

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.639611
• LogD (pH = 7.4): 2.6397777
• Log P: 2.6397798
• Molar Refractivity: 58.7718 cm^3
• Polarizability: 23.898144 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%