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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL266540
CHEMBL266540
Compound Name QUINAZOLINONE
ChEMBL Synonyms 4-quinazolone | Quinazolin-4-ol
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

Structural Alerts

There are no structural alerts for CHEMBL266540

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

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
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-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 ZINC17970819

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