dichloroiron;1-(6-quinoxalin-2-yl-2-pyridinyl)-N-(2,4,6-trimethylphenyl)ethanimine

C24H22Cl2FeN4 — CID 24741899

IUPACdichloroiron;1-(6-quinoxalin-2-yl-2-pyridinyl)-N-(2,4,6-trimethylphenyl)ethanimine
SMILESC/C(=N\c1c(C)cc(C)cc1C)c1cccc(-c2cnc3ccccc3n2)n1.Cl[Fe]Cl
InChIInChI=1S/C24H22N4.2ClH.Fe/c1-15-12-16(2)24(17(3)13-15)26-18(4)19-10-7-11-22(27-19)23-14-25-20-8-5-6-9-21(20)28-23;;;/h5-14H,1-4H3;2*1H;/q;;;+2/p-2/b26-18+;;;
InChIKeyNIBSPVDFJXWDQD-DMVWOWLWSA-L
MW493.22 g/mol
LogP7.13
Rot. Bonds3

About dichloroiron;1-(6-quinoxalin-2-yl-2-pyridinyl)-N-(2,4,6-trimethylphenyl)ethanimine

dichloroiron;1-(6-quinoxalin-2-yl-2-pyridinyl)-N-(2,4,6-trimethylphenyl)ethanimine (PubChem CID 24741899) has the molecular formula C24H22Cl2FeN4 and a molecular weight of 493.22 g/mol. Its IUPAC name is dichloroiron;1-(6-quinoxalin-2-yl-2-pyridinyl)-N-(2,4,6-trimethylphenyl)ethanimine.

Molecular Properties

Compound Namedichloroiron;1-(6-quinoxalin-2-yl-2-pyridinyl)-N-(2,4,6-trimethylphenyl)ethanimine
PubChem CID24741899
Molecular FormulaC24H22Cl2FeN4
Molecular Weight493.22 g/mol
Exact Mass492.06
IUPAC Namedichloroiron;1-(6-quinoxalin-2-yl-2-pyridinyl)-N-(2,4,6-trimethylphenyl)ethanimine
SMILESC/C(=N\c1c(C)cc(C)cc1C)c1cccc(-c2cnc3ccccc3n2)n1.Cl[Fe]Cl
InChIInChI=1S/C24H22N4.2ClH.Fe/c1-15-12-16(2)24(17(3)13-15)26-18(4)19-10-7-11-22(27-19)23-14-25-20-8-5-6-9-21(20)28-23;;;/h5-14H,1-4H3;2*1H;/q;;;+2/p-2/b26-18+;;;
InChIKeyNIBSPVDFJXWDQD-DMVWOWLWSA-L
XLogP7.13
TPSA51.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.22
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze dichloroiron;1-(6-quinoxalin-2-yl-2-pyridinyl)-N-(2,4,6-trimethylphenyl)ethanimine 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

1-[6-(5-methyl-2-pyridinyl)-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine
CID 149311972
1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine;dichloroiron
CID 163240919
N-(2-chloro-4,6-dimethylphenyl)-1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;dichloroiron
CID 59305956
carbanide;cobalt(2+);1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine
CID 59100370
1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine;vanadium;trichloride
CID 173243756
N-methyl-1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]ethanimine
CID 118102441
1-[6-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]-2-pyridinyl]-N-phenylethanimine
CID 101458975
dichloroiron;1-[2-[C-methyl-N-(2,4,6-trimethylphenyl)carbonimidoyl]pyrimidin-4-yl]-N-(2,4,6-trimethylphenyl)ethanimine
CID 22968203
2-(2,4,6-trimethylphenyl)quinoxaline
CID 39830827
bis(dichloroiron);N-(3,5-dimethylphenyl)-1-[6-[N-[4-[[4-[1-[6-[N-(3,5-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-3,5-dimethylphenyl]methyl]-2,6-dimethylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
CID 58660070
N-(2-chloro-4,6-dimethylphenyl)-1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;trichloroiron
CID 157029122
1-[6-[N-(2-chloro-4,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]-N-(2,4,6-trimethylphenyl)ethanimine;iron(2+);bis(methanidyl(trimethyl)-λ4-sulfane)
CID 157029121

Frequently Asked Questions

What is the IUPAC name of dichloroiron;1-(6-quinoxalin-2-yl-2-pyridinyl)-N-(2,4,6-trimethylphenyl)ethanimine?
The IUPAC name of dichloroiron;1-(6-quinoxalin-2-yl-2-pyridinyl)-N-(2,4,6-trimethylphenyl)ethanimine (CID 24741899) is dichloroiron;1-(6-quinoxalin-2-yl-2-pyridinyl)-N-(2,4,6-trimethylphenyl)ethanimine.
What is the SMILES notation for dichloroiron;1-(6-quinoxalin-2-yl-2-pyridinyl)-N-(2,4,6-trimethylphenyl)ethanimine?
The canonical SMILES for dichloroiron;1-(6-quinoxalin-2-yl-2-pyridinyl)-N-(2,4,6-trimethylphenyl)ethanimine is C/C(=N\c1c(C)cc(C)cc1C)c1cccc(-c2cnc3ccccc3n2)n1.Cl[Fe]Cl.
What is the InChIKey of dichloroiron;1-(6-quinoxalin-2-yl-2-pyridinyl)-N-(2,4,6-trimethylphenyl)ethanimine?
The InChIKey is NIBSPVDFJXWDQD-DMVWOWLWSA-L. The full InChI is InChI=1S/C24H22N4.2ClH.Fe/c1-15-12-16(2)24(17(3)13-15)26-18(4)19-10-7-11-22(27-19)23-14-25-20-8-5-6-9-21(20)28-23;;;/h5-14H,1-4H3;2*1H;/q;;;+2/p-2/b26-18+;;;.
What are the key properties of dichloroiron;1-(6-quinoxalin-2-yl-2-pyridinyl)-N-(2,4,6-trimethylphenyl)ethanimine?
dichloroiron;1-(6-quinoxalin-2-yl-2-pyridinyl)-N-(2,4,6-trimethylphenyl)ethanimine has a molecular weight of 493.22 g/mol, XLogP of 7.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dichloroiron;1-(6-quinoxalin-2-yl-2-pyridinyl)-N-(2,4,6-trimethylphenyl)ethanimine is sourced from PubChem (CID 24741899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).