8-{[(quinolin-8-yloxy)magnesio]oxy}quinoline

• ChemBase ID: 108757
• Molecular Formular: C18H12MgN2O2
• Molecular Mass: 312.60508
• Monoisotopic Mass: 312.07491933
• SMILES: O([Mg]Oc1cccc2cccnc12)c1cccc2cccnc12
• Canonical SMILES: [Mg](Oc1cccc2c1nccc2)Oc1cccc2c1nccc2
• InChI: InChI=1S/2C9H7NO.Mg/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-6,11H;/q;;+2/p-2
• InChIKey: PRGAWFXXABCMIW-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-{[(quinolin-8-yloxy)magnesio]oxy}quinoline
• IUPAC Traditional name: 8-{[(quinolin-8-yloxy)magnesio]oxy}quinoline
• Synonyms: 8-HYDROXYQUINOLINE MAGNESIUM SALT

Database IDs

• CAS Number: 14639-28-2
• PubChem SID: 162090462
• PubChem CID: 517006

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.1062722
• LogD (pH = 7.4): 3.1253538
• Log P: 3.1256
• Molar Refractivity: 81.4916 cm^3
• Polarizability: 36.67755 Å^3
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05208617

MP Biomedicals Rare Chemical collection