bis(8-chloro-2-methylquinoline) dichlorozinc dihydrochloride

• ChemBase ID: 78777
• Molecular Formular: C20H18Cl6N2Zn
• Molecular Mass: 564.46832
• Monoisotopic Mass: 559.88925667
• SMILES: n1c(ccc2cccc(c12)Cl)C.n1c(ccc2cccc(c12)Cl)C.[Zn](Cl)Cl.Cl.Cl
• Canonical SMILES: Cc1ccc2c(n1)c(Cl)ccc2.Cc1ccc2c(n1)c(Cl)ccc2.Cl[Zn]Cl.Cl.Cl
• InChI: InChI=1S/2C10H8ClN.4ClH.Zn/c2*1-7-5-6-8-3-2-4-9(11)10(8)12-7;;;;;/h2*2-6H,1H3;4*1H;/q;;;;;;+2/p-2
• InChIKey: OUOQJFUCWBYLFH-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(8-chloro-2-methylquinoline) dichlorozinc dihydrochloride
• IUPAC Traditional name: bis(8-chloro-2-methylquinoline) zinc chloride dihydrochloride
• Synonyms: 8-Chloro-2-methylquinoline hydrochloride hemizincchloride

Database IDs

• MDL Number: MFCD01565963
• PubChem SID: 162043540
• PubChem CID: 2774260

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.8611557
• LogD (pH = 7.4): 2.86625
• Log P: 2.8663154
• Molar Refractivity: 49.3756 cm^3
• Polarizability: 20.620377 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false