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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL266540
CHEMBL266540
Compound Name QUINAZOLINONE
ChEMBL Synonyms Quinazolin-4-ol | 4-quinazolone
Max Phase 0
Trade Names
Molecular Formula C8H6N2O

Additional synonyms for CHEMBL266540 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1NC=Nc2ccccc12
Standard InChI InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10, ...
Download InChI
Standard InChI Key QMNUDYFKZYBWQX-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL266540

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
146.2 146.048 0.75 0 41.46 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.97 2 .46 .46 1 11 0.59

Structural Alerts

There are no structural alerts for CHEMBL266540

Compound Cross References

ChemSpider ChemSpider:QMNUDYFKZYBWQX-UHFFFAOYSA-N
PubChem SID: 144210118 SID: 14742178 SID: 26753221 SID: 26753222
Wikipedia Quinazolinone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL266540



ACToR 491-36-1
BindingDB 27504
Brenda 29549 73805 91767 141430
ChEBI 113558
eMolecules 539261 835678 36827150
EPA CompTox Dashboard DTXSID8049412
FDA SRS 84JOT4EY5X
IBM Patent System 22B5619C587D1AC456B56B44A32CD399
LINCS LSM-24987
Mcule MCULE-7060458724
MolPort MolPort-008-427-946 MolPort-000-437-091 MolPort-000-146-098
Nikkaji J73.026B
NMRShiftDB 20050524 20201454
PDBe JPZ
PubChem 63112
PubChem: Thomson Pharma 15321563 14769427 15140982
SureChEMBL SCHEMBL10418
ZINC ZINC000017970819

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