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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 2.02 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
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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