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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL14474
CHEMBL14474
Compound Name QUINOLINE
ChEMBL Synonyms Quinoline | 1-Benzazine
Max Phase 0
Trade Names
Molecular Formula C9H7N

Additional synonyms for CHEMBL14474 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES c1ccc2ncccc2c1
Standard InChI InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H
Standard InChI Key SMWDFEZZVXVKRB-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL14474

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
129.2 129.0578 2.23 0 12.89 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4.97 2.13 2.13 2 10 0.53

Structural Alerts

There are no structural alerts for CHEMBL14474

Compound Cross References

ChemSpider ChemSpider:SMWDFEZZVXVKRB-UHFFFAOYSA-N
PubChem SID: 124890570 SID: 144208676 SID: 144210388 SID: 17389631 SID: 85148604
Wikipedia Quinoline

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL14474



ACToR 20214-07-7 91-22-5
BindingDB 50047015
Brenda 1565 49648
ChEBI 17362
ChemicalBook CB2331254
eMolecules 483237
EPA CompTox Dashboard DTXSID1021798
FDA SRS E66400VT9R
Human Metabolome Database HMDB0033731
IBM Patent System 91A69A8D5A106AFA7DA645F259DEE990
KEGG Ligand C06413
Mcule MCULE-2825394284
MolPort MolPort-000-883-590
Nikkaji J3.922E
NMRShiftDB 10008748
PubChem 7047
PubChem: Thomson Pharma 15297227
Rhea 17362
SureChEMBL SCHEMBL2774
ZINC ZINC000000896153

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