4-chloro-6,7-dimethoxyquinoline

• ChemBase ID: 52803
• Molecular Formular: C11H10ClNO2
• Molecular Mass: 223.6556
• Monoisotopic Mass: 223.04000625
• SMILES: c1(c(cc2c(c1)c(ccn2)Cl)OC)OC
• Canonical SMILES: COc1cc2c(Cl)ccnc2cc1OC
• InChI: InChI=1S/C11H10ClNO2/c1-14-10-5-7-8(12)3-4-13-9(7)6-11(10)15-2/h3-6H,1-2H3
• InChIKey: WRVHQEYBCDPZEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-6,7-dimethoxyquinoline
• IUPAC Traditional name: 4-chloro-6,7-dimethoxyquinoline
• Synonyms: 4-Chloro-6,7-dimethoxyquinoline; 4-Chloro-6,7-dimethoxy-quinoline

Database IDs

• CAS Number: 35654-56-9
• MDL Number: MFCD07778437
• PubChem SID: 162057566
• PubChem CID: 459610

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.4068031
• LogD (pH = 7.4): 2.4194388
• Log P: 2.4196026
• Molar Refractivity: 57.7105 cm^3
• Polarizability: 23.843548 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%; 95+%; 97%