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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
IBM Patents WO2000055927A1 WO1998027983A1 US20040169622 EP1720528A2 US20100248167 US7632950 US20080116789 US20060111409 US20090068279 WO2010012363A1 WO2008060626A2 US5741942 US5037808 US7771843 US7674778 US7572914 US20060149080 EP1505977A2 US20060183063 US7132012 US20060204994 US7399537 US20050106334 WO2006088949A1 US20100261715 EP0370382A2 US5874426 US20060160884 EP0308019A2 US5827881 US20100327265 WO2006136823A1 EP2090932A1 US20030220350 US7262284 EP0337815A1 EP1995242A1 US20100204210 WO2006038871A1 US20080261989 EP0700442B1 EP1066245A1 WO2006094292A2 WO2002094437A1 US20050085509 US20090118819 EP1553075A1 US7311393 EP1097927A1 WO2005097855A1 US7629002 EP1458684A2 US20060222869 US7659300 US20050107374 US6930111 US20090221010 US20100168194 US20040220389 US20040237213 US20090111996 EP1656372A2 EP0245950A2 US20040063760 US7504139 US20080039459 WO2008112938A2 US7429444 US20060154944 US7576053 WO2009052138A1 WO2006023457A1 US20100247938 WO2007024814A1 WO2001046394A2 EP0646119B1 US20090140644 US7626156 EP1755589A1 US20100222448 US20030069418 US20030085387 EP1888018A1 EP1559711A1 US20100197684 US5540999 US5707439 WO2009123753A1 WO2009023558A1 WO2001081576A2 US20090202610 US6339084 EP1721604A1 US6011029 US20050238684 US4416975 WO1998057952A1 WO2005007665A2 EP1959736A1 US20070269735
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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