ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL99932
CHEMBL99932
Compound Name 8-AMINOQUINOLINE
ChEMBL Synonyms Quinolin-8-ylamine | 8-Aminoquinoline | Quinolin-8-amine
Max Phase 0
Trade Names
Molecular Formula C9H8N2

Additional synonyms for CHEMBL99932 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1cccc2cccnc12
Standard InChI InChI=1S/C9H8N2/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H,10H2
Standard InChI Key WREVVZMUNPAPOV-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL99932

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 NEUTRAL


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
- 4.09 1.95 1.95 2 11 0.57

Structural Alerts

There are 3 structural alerts for CHEMBL99932. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:WREVVZMUNPAPOV-UHFFFAOYSA-N
PubChem SID: 103061983 SID: 124895597 SID: 24715090 SID: 24724296
Wikipedia 8-Aminoquinoline

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL99932



ACToR 578-66-5
BindingDB 32144 32206
eMolecules 492830
EPA CompTox Dashboard DTXSID4060369
FDA SRS U34EAV21TG
IBM Patent System D9810EC90AADA141526001CBD2A4FC7A
Mcule MCULE-9280410958
MolPort MolPort-000-514-611
Nikkaji J1.629B
NMRShiftDB 20052952
PDBe Q8A
PubChem 11359
PubChem: Thomson Pharma 15219136
SureChEMBL SCHEMBL159694
ZINC ZINC000000105176

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