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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

Structural Alerts

There are no structural alerts for CHEMBL39444

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

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
ChEBI 36616
eMolecules 489916
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 ZINC00331700

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