4-chloro-5,7-dimethoxyquinoline

• ChemBase ID: 269717
• Molecular Formular: C11H10ClNO2
• Molecular Mass: 223.6556
• Monoisotopic Mass: 223.04000625
• SMILES: c12c(cc(cc1OC)OC)nccc2Cl
• Canonical SMILES: COc1cc(OC)cc2c1c(Cl)ccn2
• InChI: InChI=1S/C11H10ClNO2/c1-14-7-5-9-11(10(6-7)15-2)8(12)3-4-13-9/h3-6H,1-2H3
• InChIKey: JSOONZDJCBQKRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-5,7-dimethoxyquinoline
• IUPAC Traditional name: 4-chloro-5,7-dimethoxyquinoline
• Synonyms: 4-chloro-5,7-dimethoxyquinoline

Database IDs

• MDL Number: MFCD12192770
• PubChem SID: 164325627
• PubChem CID: 17880472

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.3819048
• LogD (pH = 7.4): 2.419105
• Log P: 2.4196026
• Molar Refractivity: 57.7105 cm^3
• Polarizability: 23.853863 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 92 - 94°C
• Hydrophobicity(logP): 3.337

Product Information

• Purity: 95%