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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL301359
CHEMBL301359
Compound Name QUINAZOLINE
ChEMBL Synonyms Quinazoline
Max Phase 0
Trade Names
Molecular Formula C8H6N2

Additional synonyms for CHEMBL301359 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES c1ccc2ncncc2c1
Standard InChI InChI=1S/C8H6N2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-6H
Standard InChI Key JWVCLYRUEFBMGU-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL301359

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 1.63 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
- 3.43 1 1 2 10 0.54

Structural Alerts

There are no structural alerts for CHEMBL301359

Compound Cross References

ChemSpider ChemSpider:JWVCLYRUEFBMGU-UHFFFAOYSA-N
Wikipedia Quinazoline

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL301359



ACToR 253-82-7
BindingDB 50049572
Brenda 8184 51218
ChEBI 36621
ChemicalBook CB8181293
eMolecules 479644
EPA CompTox Dashboard DTXSID7075214
FDA SRS UB9QUR18NL
IBM Patent System 5C85CBD053FD113A60D4E8EF49EA51F4
Mcule MCULE-5560290670
MolPort MolPort-001-763-720
Nikkaji J5.442I
NMRShiftDB 10016257
PDBe QUZ
PubChem 9210
PubChem: Thomson Pharma 14793765
SureChEMBL SCHEMBL5920
ZINC ZINC000000160344

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