bis(4-chloro-2-(quinolin-8-yliminomethyl)phenolate);iron(2+)

C32H20Cl2FeN4O2 — CID 139187307

IUPACbis(4-chloro-2-(quinolin-8-yliminomethyl)phenolate);iron(2+)
SMILES[Fe+2].[O-]c1ccc(Cl)cc1/C=N/c1cccc2cccnc12.[O-]c1ccc(Cl)cc1C=Nc1cccc2cccnc12
InChIInChI=1S/2C16H11ClN2O.Fe/c2*17-13-6-7-15(20)12(9-13)10-19-14-5-1-3-11-4-2-8-18-16(11)14;/h2*1-10,20H;/q;;+2/p-2/b19-10+;;
InChIKeyQTRCBWSSGPXXDV-DLFBYYCRSA-L
MW619.29 g/mol
LogP7.42
Rot. Bonds4

About bis(4-chloro-2-(quinolin-8-yliminomethyl)phenolate);iron(2+)

bis(4-chloro-2-(quinolin-8-yliminomethyl)phenolate);iron(2+) (PubChem CID 139187307) has the molecular formula C32H20Cl2FeN4O2 and a molecular weight of 619.29 g/mol. Its IUPAC name is bis(4-chloro-2-(quinolin-8-yliminomethyl)phenolate);iron(2+).

Molecular Properties

Compound Namebis(4-chloro-2-(quinolin-8-yliminomethyl)phenolate);iron(2+)
PubChem CID139187307
Molecular FormulaC32H20Cl2FeN4O2
Molecular Weight619.29 g/mol
Exact Mass618.03
IUPAC Namebis(4-chloro-2-(quinolin-8-yliminomethyl)phenolate);iron(2+)
SMILES[Fe+2].[O-]c1ccc(Cl)cc1/C=N/c1cccc2cccnc12.[O-]c1ccc(Cl)cc1C=Nc1cccc2cccnc12
InChIInChI=1S/2C16H11ClN2O.Fe/c2*17-13-6-7-15(20)12(9-13)10-19-14-5-1-3-11-4-2-8-18-16(11)14;/h2*1-10,20H;/q;;+2/p-2/b19-10+;;
InChIKeyQTRCBWSSGPXXDV-DLFBYYCRSA-L
XLogP7.42
TPSA96.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.29
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-Chloro-2-(quinolin-8-yliminomethyl)-phenol
CID 3490788
Bis(4-chloro-2-(pyridin-2-ylmethyliminomethyl)phenolate);nickel(2+)
CID 24193982
Copper bis(2-(quinolin-3-yliminomethyl)phenolate)
CID 139067163
{4,4'-Dichloro-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenolato-kappa^4^O,N,N',O'}(pyridine-kappaN)zinc(II)
CID 139072345
Bis{4-chloro-2-[2-(1H-indol-3-yl)ethyliminomethyl]phenolato-kappa^2^N,O}zinc(II)
CID 139074275
Dichloromethane;iron(3+);bis(2-(quinolin-8-yliminomethyl)phenolate);isoselenocyanate
CID 139120327
Iron(2+);bis(4-nitro-2-(quinolin-8-yliminomethyl)phenolate)
CID 139142660
Cobalt(2+);bis(2,4-ditert-butyl-6-(quinolin-8-yliminomethyl)phenolate)
CID 139163130
Bis(4-chloro-2-(quinolin-8-yliminomethyl)phenolate);iron(3+);methanol;isothiocyanate
CID 139165226
(NE,Z)-N-[(2-oxidophenyl)methylidene]benzenecarbohydrazonate;oxygen(2-);1,10-phenanthroline;vanadium(4+)
CID 139177609
copper;(NE,Z)-N-[(2-oxidophenyl)methylidene]benzenecarbohydrazonate;1,10-phenanthroline
CID 139177738
Tetrakis(4-chloro-2-(quinolin-8-yliminomethyl)phenolate);bis(iron(2+))
CID 139187308

Frequently Asked Questions

What is the IUPAC name of bis(4-chloro-2-(quinolin-8-yliminomethyl)phenolate);iron(2+)?
The IUPAC name of bis(4-chloro-2-(quinolin-8-yliminomethyl)phenolate);iron(2+) (CID 139187307) is bis(4-chloro-2-(quinolin-8-yliminomethyl)phenolate);iron(2+).
What is the SMILES notation for bis(4-chloro-2-(quinolin-8-yliminomethyl)phenolate);iron(2+)?
The canonical SMILES for bis(4-chloro-2-(quinolin-8-yliminomethyl)phenolate);iron(2+) is [Fe+2].[O-]c1ccc(Cl)cc1/C=N/c1cccc2cccnc12.[O-]c1ccc(Cl)cc1C=Nc1cccc2cccnc12.
What is the InChIKey of bis(4-chloro-2-(quinolin-8-yliminomethyl)phenolate);iron(2+)?
The InChIKey is QTRCBWSSGPXXDV-DLFBYYCRSA-L. The full InChI is InChI=1S/2C16H11ClN2O.Fe/c2*17-13-6-7-15(20)12(9-13)10-19-14-5-1-3-11-4-2-8-18-16(11)14;/h2*1-10,20H;/q;;+2/p-2/b19-10+;;.
What are the key properties of bis(4-chloro-2-(quinolin-8-yliminomethyl)phenolate);iron(2+)?
bis(4-chloro-2-(quinolin-8-yliminomethyl)phenolate);iron(2+) has a molecular weight of 619.29 g/mol, XLogP of 7.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-chloro-2-(quinolin-8-yliminomethyl)phenolate);iron(2+) is sourced from PubChem (CID 139187307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).