2-Quinolone-3-carboxylic acid

Details

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Internal ID 127c6027-19d1-4a64-b88f-a1763f80ee8b
Taxonomy Organoheterocyclic compounds > Quinolines and derivatives > Quinoline carboxylic acids
IUPAC Name 2-oxo-1H-quinoline-3-carboxylic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C10H7NO3/c12-9-7(10(13)14)5-6-3-1-2-4-8(6)11-9/h1-5H,(H,11,12)(H,13,14)
InChI Key XOQQVKDBGLYPGH-UHFFFAOYSA-N
Popularity 253 references in papers

Physical and Chemical Properties

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Molecular Formula C10H7NO3
Molecular Weight 189.17 g/mol
Exact Mass 189.042593085 g/mol
Topological Polar Surface Area (TPSA) 66.40 Ų
XlogP 1.60

Synonyms

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2-hydroxyquinoline-3-carboxylic acid
2-Oxo-1,2-dihydro-quinoline-3-carboxylic acid
2-oxo-1H-quinoline-3-carboxylic acid
2-oxo-1,2-dihydro-3-quinolinecarboxylic acid
2-oxo-1,2-dihydroquinoline-3-carboxylic acid
2-Hydroxy-3-quinolinecarboxylic acid
3-Quinolinecarboxylic acid, 1,2-dihydro-2-oxo-
2-quinolone-3-carboxylic acid
5YC1Y02JDC
NSC329342
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 2-Quinolone-3-carboxylic acid

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.15% 95.56%
CHEMBL2535 P11166 Glucose transporter 88.11% 98.75%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 87.75% 93.03%
CHEMBL1293294 P51151 Ras-related protein Rab-9A 87.60% 87.67%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 87.34% 94.62%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 87.32% 91.11%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 86.35% 99.23%
CHEMBL3807 P17706 T-cell protein-tyrosine phosphatase 84.68% 93.00%
CHEMBL2581 P07339 Cathepsin D 84.53% 98.95%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 84.10% 91.71%
CHEMBL1293249 Q13887 Kruppel-like factor 5 80.95% 86.33%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 332488
LOTUS LTS0210127
wikiData Q83043888