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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL39444
CHEMBL39444
Compound Name QUINOXALINE
ChEMBL Synonyms Quinoxaline | 1,4-Quinoxaline
Max Phase 0
Trade Names
Molecular Formula C8H6N2

Additional synonyms for CHEMBL39444 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES c1ccc2nccnc2c1
Standard InChI InChI=1S/C8H6N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-6H
Standard InChI Key XSCHRSMBECNVNS-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL39444

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
130.2 130.0531 1.29 0 25.78 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 0 0 2 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- .59 1.42 1.42 2 10 0.54

Structural Alerts

There are no structural alerts for CHEMBL39444

Compound Cross References

ChemSpider ChemSpider:XSCHRSMBECNVNS-UHFFFAOYSA-N
PubChem SID: 124896855 SID: 144210148
Wikipedia Quinoxaline

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL39444



ACToR 91-19-0 31799-17-4
Brenda 15944
ChEBI 36616
eMolecules 489916
EPA CompTox Dashboard DTXSID6049432
FDA SRS QM4AR6M6T8
IBM Patent System 51A05E7CCCB52DEBFD9ED643B38CAF4C 41D129C646CAFDEB6DDAB70C333A2638
KEGG Ligand C18575
Mcule MCULE-5721421612
MolPort MolPort-001-759-998
Nikkaji J4.336B
NMRShiftDB 10016256
PubChem 7045
PubChem: Thomson Pharma 14793764
SureChEMBL SCHEMBL1974
ZINC ZINC000000331700

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/XSCHRSMBECNVNS-UHFFFAOYSA-N spacer
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