2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;1,3-dimethoxypropane-1,3-diol;platinum

C20H22ClN2O4Pt- — CID 58330975

IUPAC2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;1,3-dimethoxypropane-1,3-diol;platinum
SMILESCOC(O)CC(O)OC.Cc1nc2ccccc2nc1-c1[c-]cc(Cl)cc1.[Pt]
InChIInChI=1S/C15H10ClN2.C5H12O4.Pt/c1-10-15(11-6-8-12(16)9-7-11)18-14-5-3-2-4-13(14)17-10;1-8-4(6)3-5(7)9-2;/h2-6,8-9H,1H3;4-7H,3H2,1-2H3;/q-1;;
InChIKeyVHMTYWZESSDRFH-UHFFFAOYSA-N
MW584.94 g/mol
LogP3.36
Rot. Bonds5

About 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;1,3-dimethoxypropane-1,3-diol;platinum

2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;1,3-dimethoxypropane-1,3-diol;platinum (PubChem CID 58330975) has the molecular formula C20H22ClN2O4Pt- and a molecular weight of 584.94 g/mol. Its IUPAC name is 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;1,3-dimethoxypropane-1,3-diol;platinum.

Molecular Properties

Compound Name2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;1,3-dimethoxypropane-1,3-diol;platinum
PubChem CID58330975
Molecular FormulaC20H22ClN2O4Pt-
Molecular Weight584.94 g/mol
Exact Mass584.09
IUPAC Name2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;1,3-dimethoxypropane-1,3-diol;platinum
SMILESCOC(O)CC(O)OC.Cc1nc2ccccc2nc1-c1[c-]cc(Cl)cc1.[Pt]
InChIInChI=1S/C15H10ClN2.C5H12O4.Pt/c1-10-15(11-6-8-12(16)9-7-11)18-14-5-3-2-4-13(14)17-10;1-8-4(6)3-5(7)9-2;/h2-6,8-9H,1H3;4-7H,3H2,1-2H3;/q-1;;
InChIKeyVHMTYWZESSDRFH-UHFFFAOYSA-N
XLogP3.36
TPSA84.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.94
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,3-Dimethoxypropane-1,3-diol;iridium;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline
CID 58330979
2-Methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;pentane-2,4-diol;platinum
CID 58330982
Iridium;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;pentane-2,4-diol
CID 58330987
1,3-Dimethoxypropane-1,3-diol;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoxaline;platinum
CID 58330988
1,3-Dimethoxypropane-1,3-diol;iridium;2-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-[4-(trifluoromethyl)phenyl]quinoxaline
CID 58672276
2-(4-Fluorobenzene-6-id-1-yl)-3-propan-2-ylquinoxaline;iridium;pentane-2,4-diol
CID 58301357
Iridium;4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;pentane-2,4-diol
CID 58330976
1,3-Dimethoxypropane-1,3-diol;2-(4-fluorobenzene-6-id-1-yl)-3-methylquinoxaline;iridium
CID 58330977
2-(4-Chlorobenzene-6-id-1-yl)-3-methylquinoxaline;1,3-dimethoxypropane-1,3-diol;iridium
CID 58330978
2-(4-Chlorobenzene-6-id-1-yl)-3-methylquinoxaline;iridium;pentane-2,4-diol
CID 58330980
1,3-Dimethoxypropane-1,3-diol;iridium;4-(3-methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile
CID 58330981
4-(3-Methylquinoxalin-2-yl)benzene-5-ide-1-carbonitrile;pentane-2,4-diol;platinum
CID 58330983

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;1,3-dimethoxypropane-1,3-diol;platinum?
The IUPAC name of 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;1,3-dimethoxypropane-1,3-diol;platinum (CID 58330975) is 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;1,3-dimethoxypropane-1,3-diol;platinum.
What is the SMILES notation for 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;1,3-dimethoxypropane-1,3-diol;platinum?
The canonical SMILES for 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;1,3-dimethoxypropane-1,3-diol;platinum is COC(O)CC(O)OC.Cc1nc2ccccc2nc1-c1[c-]cc(Cl)cc1.[Pt].
What is the InChIKey of 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;1,3-dimethoxypropane-1,3-diol;platinum?
The InChIKey is VHMTYWZESSDRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN2.C5H12O4.Pt/c1-10-15(11-6-8-12(16)9-7-11)18-14-5-3-2-4-13(14)17-10;1-8-4(6)3-5(7)9-2;/h2-6,8-9H,1H3;4-7H,3H2,1-2H3;/q-1;;.
What are the key properties of 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;1,3-dimethoxypropane-1,3-diol;platinum?
2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;1,3-dimethoxypropane-1,3-diol;platinum has a molecular weight of 584.94 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorobenzene-6-id-1-yl)-3-methylquinoxaline;1,3-dimethoxypropane-1,3-diol;platinum is sourced from PubChem (CID 58330975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).