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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL9734
CHEMBL9734
Compound Name
ChEMBL Synonyms 4-Methyl-Quinoline
Max Phase 0
Trade Names
Molecular Formula C10H9N

Additional synonyms for CHEMBL9734 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccnc2ccccc12
Standard InChI InChI=1S/C10H9N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h2-7H,1H3
Standard InChI Key MUDSDYNRBDKLGK-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL9734

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
143.2 143.0735 2.5 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
- 5.66 2.73 2.72 2 11 0.55

Structural Alerts

There are no structural alerts for CHEMBL9734

Compound Cross References

ChemSpider ChemSpider:MUDSDYNRBDKLGK-UHFFFAOYSA-N
PubChem SID: 124895700 SID: 144212146
Wikipedia Lepidine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL9734



ACToR 491-35-0
Brenda 29559
ChEBI 48983
eMolecules 484043
EPA CompTox Dashboard DTXSID7047067
FDA SRS 116169T3O8
IBM Patent System CF14E086F87F6875F9712F130A6FF169
Mcule MCULE-8999201921
MolPort MolPort-001-781-554
Nikkaji J1.552K
NMRShiftDB 20050529
PubChem 10285
PubChem: Thomson Pharma 15264946
Rhea 48983
SureChEMBL SCHEMBL31559
ZINC ZINC000001666750

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