4-chloro-7,8-dimethoxyquinoline

• ChemBase ID: 52830
• Molecular Formular: C11H10ClNO2
• Molecular Mass: 223.6556
• Monoisotopic Mass: 223.04000625
• SMILES: c1c(c(c2c(c1)c(ccn2)Cl)OC)OC
• Canonical SMILES: COc1c(OC)ccc2c1nccc2Cl
• InChI: InChI=1S/C11H10ClNO2/c1-14-9-4-3-7-8(12)5-6-13-10(7)11(9)15-2/h3-6H,1-2H3
• InChIKey: CILQDBAXEWYDIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-7,8-dimethoxyquinoline
• IUPAC Traditional name: 4-chloro-7,8-dimethoxyquinoline
• Synonyms: 4-Chloro-7,8-dimethoxyquinoline

Database IDs

• CAS Number: 99878-79-2
• MDL Number: MFCD08063220
• PubChem SID: 162057593
• PubChem CID: 343158

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.4193823
• LogD (pH = 7.4): 2.4195998
• Log P: 2.4196026
• Molar Refractivity: 57.7105 cm^3
• Polarizability: 23.849077 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%