Quinolin-2-ylmethyl acetate

Details

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Internal ID 97294136-f62c-4626-bf05-ca7f6eaed3e3
Taxonomy Organoheterocyclic compounds > Quinolines and derivatives
IUPAC Name quinolin-2-ylmethyl acetate
SMILES (Canonical) CC(=O)OCC1=NC2=CC=CC=C2C=C1
SMILES (Isomeric) CC(=O)OCC1=NC2=CC=CC=C2C=C1
InChI InChI=1S/C12H11NO2/c1-9(14)15-8-11-7-6-10-4-2-3-5-12(10)13-11/h2-7H,8H2,1H3
InChI Key DNRJGKANFCXPLY-UHFFFAOYSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C12H11NO2
Molecular Weight 201.22 g/mol
Exact Mass 201.078978594 g/mol
Topological Polar Surface Area (TPSA) 39.20 Ų
XlogP 1.90

Synonyms

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60483-07-0
(QUINOLIN-2-YL)METHYL ACETATE
quinoline-2-methanol acetate
QUINOLIN-2-YLMETHYLACETATE
NSC118158
SCHEMBL3951224
DTXSID00297796
NSC-118158
CS-0244270
FT-0729730
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Quinolin-2-ylmethyl acetate

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.02% 96.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 91.15% 86.33%
CHEMBL2581 P07339 Cathepsin D 90.26% 98.95%
CHEMBL3401 O75469 Pregnane X receptor 87.95% 94.73%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.34% 99.17%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 86.41% 91.11%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 83.66% 94.00%
CHEMBL2716 Q8WUI4 Histone deacetylase 7 82.89% 89.44%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 82.71% 96.67%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.10% 95.56%

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 273161
LOTUS LTS0189959
wikiData Q82039182