iron(2+);bis(quinolin-8-olate)

C18H12FeN2O2 — CID 14497034

IUPACiron(2+);bis(quinolin-8-olate)
SMILES[Fe+2].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12
InChIInChI=1S/2C9H7NO.Fe/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-6,11H;/q;;+2/p-2
InChIKeyUNMSQZDJLGCSDR-UHFFFAOYSA-L
MW344.15 g/mol
LogP2.61
Rot. Bonds

About iron(2+);bis(quinolin-8-olate)

iron(2+);bis(quinolin-8-olate) (PubChem CID 14497034) has the molecular formula C18H12FeN2O2 and a molecular weight of 344.15 g/mol. Its IUPAC name is iron(2+);bis(quinolin-8-olate).

Molecular Properties

Compound Nameiron(2+);bis(quinolin-8-olate)
PubChem CID14497034
Molecular FormulaC18H12FeN2O2
Molecular Weight344.15 g/mol
Exact Mass344.02
IUPAC Nameiron(2+);bis(quinolin-8-olate)
SMILES[Fe+2].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12
InChIInChI=1S/2C9H7NO.Fe/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-6,11H;/q;;+2/p-2
InChIKeyUNMSQZDJLGCSDR-UHFFFAOYSA-L
XLogP2.61
TPSA71.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.15
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

zinc bis(quinolin-8-olate)
CID 162394451
palladium(2+);bis(quinolin-8-olate)
CID 15139981
tris(quinolin-8-olate);zirconium-89(3+)
CID 155884448
dicalcium;chloroform;tetrakis(erbium(3+));hexadecakis(quinolin-8-olate)
CID 139170865
tetrapotassium;bis(quinolin-8-olate);sulfate
CID 170905215
magnesium;chloroform;bis(dysprosium(3+));octakis(quinolin-8-olate)
CID 139170863
potassium;quinolin-8-olate;sulfuric acid
CID 170843806
hafnium(4+);tetrakis(quinolin-8-olate);toluene
CID 139077805
benzo[h]quinolin-10-olate
CID 101433150
aluminum;2,6-diphenylphenolate;bis(quinolin-8-olate)
CID 69091139
tricopper;bis(2-oxidobenzoate);bis(quinolin-8-olate)
CID 69050117
CID 174914731
CID 174914731

Frequently Asked Questions

What is the IUPAC name of iron(2+);bis(quinolin-8-olate)?
The IUPAC name of iron(2+);bis(quinolin-8-olate) (CID 14497034) is iron(2+);bis(quinolin-8-olate).
What is the SMILES notation for iron(2+);bis(quinolin-8-olate)?
The canonical SMILES for iron(2+);bis(quinolin-8-olate) is [Fe+2].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.
What is the InChIKey of iron(2+);bis(quinolin-8-olate)?
The InChIKey is UNMSQZDJLGCSDR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H7NO.Fe/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-6,11H;/q;;+2/p-2.
What are the key properties of iron(2+);bis(quinolin-8-olate)?
iron(2+);bis(quinolin-8-olate) has a molecular weight of 344.15 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iron(2+);bis(quinolin-8-olate) is sourced from PubChem (CID 14497034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).