2-chloro-6,7-dimethoxyquinoline

• ChemBase ID: 271464
• Molecular Formular: C11H10ClNO2
• Molecular Mass: 223.6556
• Monoisotopic Mass: 223.04000625
• SMILES: n1c2cc(c(cc2ccc1Cl)OC)OC
• Canonical SMILES: COc1cc2nc(Cl)ccc2cc1OC
• InChI: InChI=1S/C11H10ClNO2/c1-14-9-5-7-3-4-11(12)13-8(7)6-10(9)15-2/h3-6H,1-2H3
• InChIKey: UJSZVZXINMWJKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6,7-dimethoxyquinoline
• IUPAC Traditional name: 2-chloro-6,7-dimethoxyquinoline
• Synonyms: 2-chloro-6,7-dimethoxyquinoline

Database IDs

• MDL Number: MFCD17977136
• PubChem SID: 164327374
• PubChem CID: 12415560

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6397626
• LogD (pH = 7.4): 2.6397796
• Log P: 2.6397798
• Molar Refractivity: 58.7718 cm^3
• Polarizability: 23.894035 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.987

Product Information

• Purity: 95%