QUJ
8-azanyl-4-(2-methylpropoxy)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 | 35 |
Chiral Atom Count | 0 |
Bond Count | 36 |
Aromatic Bond Count | 11 |
Chemical Component Summary | |
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Name | 8-azanyl-4-(2-methylpropoxy)quinoline-2-carboxylic acid |
Systematic Name (OpenEye OEToolkits) | 8-azanyl-4-(2-methylpropoxy)quinoline-2-carboxylic acid |
Formula | C14 H16 N2 O3 |
Molecular Weight | 260.288 |
Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | CC(C)COc1cc(nc2c(N)cccc12)C(O)=O |
SMILES | OpenEye OEToolkits | 2.0.5 | CC(C)COc1cc(nc2c1cccc2N)C(=O)O |
Canonical SMILES | CACTVS | 3.385 | CC(C)COc1cc(nc2c(N)cccc12)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 2.0.5 | CC(C)COc1cc(nc2c1cccc2N)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C14H16N2O3/c1-8(2)7-19-12-6-11(14(17)18)16-13-9(12)4-3-5-10(13)15/h3-6,8H,7,15H2,1-2H3,(H,17,18) |
InChIKey | InChI | 1.03 | UQMUZAYVJKDBFB-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 86002223 |