QOX
1-oxo-1lambda~5~-quinoline
Created: | 2022-09-14 |
Last modified: | 2023-10-04 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 18 |
Chiral Atom Count | 0 |
Bond Count | 19 |
Aromatic Bond Count | 11 |
Chemical Component Summary | |
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Name | 1-oxo-1lambda~5~-quinoline |
Systematic Name (OpenEye OEToolkits) | 1-oxidanidylquinolin-1-ium |
Formula | C9 H7 N O |
Molecular Weight | 145.158 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | [O-][n+]1cccc2ccccc21 |
SMILES | CACTVS | 3.385 | [O-][n+]1cccc2ccccc12 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)ccc[n+]2[O-] |
Canonical SMILES | CACTVS | 3.385 | [O-][n+]1cccc2ccccc12 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)ccc[n+]2[O-] |
InChI | InChI | 1.06 | InChI=1S/C9H7NO/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H |
InChIKey | InChI | 1.06 | GIIWGCBLYNDKBO-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 15366 |
ChEMBL | CHEMBL189783 |
ChEBI | CHEBI:181573 |
CCDC/CSD | WUBDOM, TIXKUH, FADXOA, SOWJAQ, VESDUV, SIPSOA, AYODUP, ZUBQEU, SIPSEQ, ZEFBOE, AYOFAX, TIXLAO |