QUK

8-azanyl-4-(3-azanylpropoxy)quinoline-2-carboxylic acid

Created: 2016-05-24
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count34
Chiral Atom Count0
Bond Count35
Aromatic Bond Count11
2D diagram of QUK

Chemical Component Summary

Name8-azanyl-4-(3-azanylpropoxy)quinoline-2-carboxylic acid
Systematic Name (OpenEye OEToolkits)8-azanyl-4-(3-azanylpropoxy)quinoline-2-carboxylic acid
FormulaC13 H15 N3 O3
Molecular Weight261.276
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385NCCCOc1cc(nc2c(N)cccc12)C(O)=O
SMILESOpenEye OEToolkits2.0.5c1cc2c(cc(nc2c(c1)N)C(=O)O)OCCCN
Canonical SMILESCACTVS3.385 NCCCOc1cc(nc2c(N)cccc12)C(O)=O
Canonical SMILESOpenEye OEToolkits2.0.5 c1cc2c(cc(nc2c(c1)N)C(=O)O)OCCCN
InChIInChI1.03 InChI=1S/C13H15N3O3/c14-5-2-6-19-11-7-10(13(17)18)16-12-8(11)3-1-4-9(12)15/h1,3-4,7H,2,5-6,14-15H2,(H,17,18)
InChIKeyInChI1.03 QGMHWPPZJKLYHR-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 102322894