2,4-dichloro-3-methoxyquinoline

• ChemBase ID: 79727
• Molecular Formular: C10H7Cl2NO
• Molecular Mass: 228.07468
• Monoisotopic Mass: 226.99046921
• SMILES: n1c2c(c(c(c1Cl)OC)Cl)cccc2
• Canonical SMILES: COc1c(Cl)nc2c(c1Cl)cccc2
• InChI: InChI=1S/C10H7Cl2NO/c1-14-9-8(11)6-4-2-3-5-7(6)13-10(9)12/h2-5H,1H3
• InChIKey: RKPHIZLAMUGPME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-3-methoxyquinoline
• IUPAC Traditional name: 2,4-dichloro-3-methoxyquinoline
• Synonyms: 2,4-dichloro-3-methoxyquinoline

Database IDs

• MDL Number: MFCD00204493
• PubChem SID: 162044490
• PubChem CID: 2775369

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4014952
• LogD (pH = 7.4): 3.4014957
• Log P: 3.4014957
• Molar Refractivity: 57.1134 cm^3
• Polarizability: 23.305109 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true