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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL58146
CHEMBL58146
Compound Name QUINOLIN-4-AMINE
ChEMBL Synonyms Quinolin-4-Amine
Max Phase 0
Trade Names
Molecular Formula C9H8N2

Additional synonyms for CHEMBL58146 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1ccnc2ccccc12
Standard InChI InChI=1S/C9H8N2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H,(H2,10,11 ...
Download InChI
Standard InChI Key FQYRLEXKXQRZDH-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL58146

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
144.2 144.0687 1.27 0 38.9 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9 1.63 .07 2 11 0.6

Structural Alerts

There are 1 structural alerts for CHEMBL58146. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FQYRLEXKXQRZDH-UHFFFAOYSA-N
Wikipedia 4-Aminoquinoline

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL58146



ACToR 578-68-7
BindingDB 10450
eMolecules 2730216
EPA CompTox Dashboard DTXSID70206491
FDA SRS GTE5P5L97N
IBM Patent System 53B977B3EDE889DA026E2022BACD0CF5 DE134FAB13017B79CA0ED847621FB067
Mcule MCULE-5842152230
MolPort MolPort-000-000-353
Nikkaji J1.803.795E J79.669G
PDBe 1LM
PubChem 68476
PubChem: Thomson Pharma 15363664
SureChEMBL SCHEMBL278276
ZINC ZINC000004202478

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