N-methyl-2-phenoxyquinolin-4(1h)-one

Details

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Internal ID e55000df-736b-45cd-a247-720db567b7e7
Taxonomy Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Hydroquinolones
IUPAC Name 1-methyl-2-phenoxyquinolin-4-one
SMILES (Canonical) CN1C2=CC=CC=C2C(=O)C=C1OC3=CC=CC=C3
SMILES (Isomeric) CN1C2=CC=CC=C2C(=O)C=C1OC3=CC=CC=C3
InChI InChI=1S/C16H13NO2/c1-17-14-10-6-5-9-13(14)15(18)11-16(17)19-12-7-3-2-4-8-12/h2-11H,1H3
InChI Key HBIGNUYKQYQFSC-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C16H13NO2
Molecular Weight 251.28 g/mol
Exact Mass 251.094628657 g/mol
Topological Polar Surface Area (TPSA) 29.50 Ų
XlogP 3.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of N-methyl-2-phenoxyquinolin-4(1h)-one

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 98.50% 95.56%
CHEMBL2581 P07339 Cathepsin D 95.17% 98.95%
CHEMBL1293249 Q13887 Kruppel-like factor 5 91.48% 86.33%
CHEMBL2095172 P14867 GABA-A receptor; alpha-1/beta-2/gamma-2 91.40% 92.67%
CHEMBL3192 Q9BY41 Histone deacetylase 8 89.08% 93.99%
CHEMBL1899 P46098 Serotonin 3a (5-HT3a) receptor 87.97% 100.00%
CHEMBL1868 P17948 Vascular endothelial growth factor receptor 1 85.38% 96.47%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 85.21% 94.62%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 84.40% 94.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 83.95% 96.09%
CHEMBL216 P11229 Muscarinic acetylcholine receptor M1 83.76% 94.23%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 82.43% 99.15%
CHEMBL4208 P20618 Proteasome component C5 81.25% 90.00%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Raputiarana heptaphylla

Cross-Links

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PubChem 53348958
LOTUS LTS0215987
wikiData Q105025312