Quinolin-4-ylmethanol

Details

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Internal ID 34fc2e08-4b24-4c28-b927-37af1f983ab5
Taxonomy Organoheterocyclic compounds > Quinolines and derivatives > 4-quinolinemethanols
IUPAC Name quinolin-4-ylmethanol
SMILES (Canonical) C1=CC=C2C(=C1)C(=CC=N2)CO
SMILES (Isomeric) C1=CC=C2C(=C1)C(=CC=N2)CO
InChI InChI=1S/C10H9NO/c12-7-8-5-6-11-10-4-2-1-3-9(8)10/h1-6,12H,7H2
InChI Key KXYNLLGPBDUAHW-UHFFFAOYSA-N
Popularity 49 references in papers

Physical and Chemical Properties

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Molecular Formula C10H9NO
Molecular Weight 159.18 g/mol
Exact Mass 159.068413911 g/mol
Topological Polar Surface Area (TPSA) 33.10 Ų
XlogP 1.40

Synonyms

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6281-32-9
4-Quinolylmethanol
4-Quinolinemethanol
4-(hydroxymethyl)quinoline
4-Hydroxymethylquinoline
(quinolin-4-yl)methanol
MFCD01006059
RL7X3EV8AA
NSC-6507
QUINOLIN-4-YL-METHANOL
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-4-ylmethanol

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.10% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 84.54% 96.09%
CHEMBL3401 O75469 Pregnane X receptor 84.01% 94.73%
CHEMBL1293249 Q13887 Kruppel-like factor 5 83.80% 86.33%
CHEMBL1951 P21397 Monoamine oxidase A 83.65% 91.49%
CHEMBL3476 O15111 Inhibitor of nuclear factor kappa B kinase alpha subunit 82.80% 95.83%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.72% 95.56%
CHEMBL1868 P17948 Vascular endothelial growth factor receptor 1 82.36% 96.47%

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 80479
LOTUS LTS0194052
wikiData Q77384647