ethanol;iron(2+);bis(quinoline-2-carboxylate)

C24H24FeN2O6 — CID 139065891

IUPACethanol;iron(2+);bis(quinoline-2-carboxylate)
SMILESCCO.CCO.O=C([O-])c1ccc2ccccc2n1.O=C([O-])c1ccc2ccccc2n1.[Fe+2]
InChIInChI=1S/2C10H7NO2.2C2H6O.Fe/c2*12-10(13)9-6-5-7-3-1-2-4-8(7)11-9;2*1-2-3;/h2*1-6H,(H,12,13);2*3H,2H2,1H3;/q;;;;+2/p-2
InChIKeyZRSUQPKWMZMUOX-UHFFFAOYSA-L
MW492.31 g/mol
LogP1.19
Rot. Bonds2

About ethanol;iron(2+);bis(quinoline-2-carboxylate)

ethanol;iron(2+);bis(quinoline-2-carboxylate) (PubChem CID 139065891) has the molecular formula C24H24FeN2O6 and a molecular weight of 492.31 g/mol. Its IUPAC name is ethanol;iron(2+);bis(quinoline-2-carboxylate).

Molecular Properties

Compound Nameethanol;iron(2+);bis(quinoline-2-carboxylate)
PubChem CID139065891
Molecular FormulaC24H24FeN2O6
Molecular Weight492.31 g/mol
Exact Mass492.10
IUPAC Nameethanol;iron(2+);bis(quinoline-2-carboxylate)
SMILESCCO.CCO.O=C([O-])c1ccc2ccccc2n1.O=C([O-])c1ccc2ccccc2n1.[Fe+2]
InChIInChI=1S/2C10H7NO2.2C2H6O.Fe/c2*12-10(13)9-6-5-7-3-1-2-4-8(7)11-9;2*1-2-3;/h2*1-6H,(H,12,13);2*3H,2H2,1H3;/q;;;;+2/p-2
InChIKeyZRSUQPKWMZMUOX-UHFFFAOYSA-L
XLogP1.19
TPSA146.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.31
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze ethanol;iron(2+);bis(quinoline-2-carboxylate) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Hydroxy-1,2-di(quinolin-2-yl)ethanone
CID 235225
4-Cyclohexyl quinaldic acid
CID 3002267
12-Cyclohexylindolo[2,1-a]isoquinoline-6,9-dicarboxylic acid
CID 11523906
Phenylchinolincarbonsaure
CID 3031738
(Benzhydrylideneamino) quinoline-2-carboxylate
CID 13976405
Quinoline-2-carbonyl quinoline-2-carboxylate
CID 53729387
Styrylquinolinecarboxylic
CID 67859269
3-Methyl-4-phenylquinoline-2-carboxylic acid
CID 69255480
Copper;bis(quinoline-2-carboxylic acid)
CID 129680371
Calcium quinolate
CID 129695117
Aluminum quinolate
CID 129705217
Quinaldate nitrogen
CID 129818252

Frequently Asked Questions

What is the IUPAC name of ethanol;iron(2+);bis(quinoline-2-carboxylate)?
The IUPAC name of ethanol;iron(2+);bis(quinoline-2-carboxylate) (CID 139065891) is ethanol;iron(2+);bis(quinoline-2-carboxylate).
What is the SMILES notation for ethanol;iron(2+);bis(quinoline-2-carboxylate)?
The canonical SMILES for ethanol;iron(2+);bis(quinoline-2-carboxylate) is CCO.CCO.O=C([O-])c1ccc2ccccc2n1.O=C([O-])c1ccc2ccccc2n1.[Fe+2].
What is the InChIKey of ethanol;iron(2+);bis(quinoline-2-carboxylate)?
The InChIKey is ZRSUQPKWMZMUOX-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H7NO2.2C2H6O.Fe/c2*12-10(13)9-6-5-7-3-1-2-4-8(7)11-9;2*1-2-3;/h2*1-6H,(H,12,13);2*3H,2H2,1H3;/q;;;;+2/p-2.
What are the key properties of ethanol;iron(2+);bis(quinoline-2-carboxylate)?
ethanol;iron(2+);bis(quinoline-2-carboxylate) has a molecular weight of 492.31 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;iron(2+);bis(quinoline-2-carboxylate) is sourced from PubChem (CID 139065891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).