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 | |
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Formal Charge | 0 |
Atom Count | 34 |
Chiral Atom Count | 0 |
Bond Count | 35 |
Aromatic Bond Count | 11 |
Chemical Component Summary | |
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Name | 8-azanyl-4-(3-azanylpropoxy)quinoline-2-carboxylic acid |
Systematic Name (OpenEye OEToolkits) | 8-azanyl-4-(3-azanylpropoxy)quinoline-2-carboxylic acid |
Formula | C13 H15 N3 O3 |
Molecular Weight | 261.276 |
Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | NCCCOc1cc(nc2c(N)cccc12)C(O)=O |
SMILES | OpenEye OEToolkits | 2.0.5 | c1cc2c(cc(nc2c(c1)N)C(=O)O)OCCCN |
Canonical SMILES | CACTVS | 3.385 | NCCCOc1cc(nc2c(N)cccc12)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 2.0.5 | c1cc2c(cc(nc2c(c1)N)C(=O)O)OCCCN |
InChI | InChI | 1.03 | 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) |
InChIKey | InChI | 1.03 | QGMHWPPZJKLYHR-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 102322894 |