(4-Oxo-2-propylquinolin-1(4h)-yl)methyl acetate

Details

• Internal ID: 432634df-c1eb-4ed8-ae95-755032ecc957
• Taxonomy: Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Hydroquinolones
• IUPAC Name: (4-oxo-2-propylquinolin-1-yl)methyl acetate
• InChI: InChI=1S/C15H17NO3/c1-3-6-12-9-15(18)13-7-4-5-8-14(13)16(12)10-19-11(2)17/h4-5,7-9H,3,6,10H2,1-2H3
• InChI Key: WOVBIPZPGKBQFZ-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₇NO₃
• Molecular Weight: 259.30 g/mol
• Exact Mass: 259.12084340 g/mol
• Topological Polar Surface Area (TPSA): 46.60 Ų
• XlogP: 2.80

Synonyms

• 92647-16-0
• NSC102233
• DTXSID50295469
• NSC-102233

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL2581	P07339	Cathepsin D	97.62%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.07%	96.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	94.47%	86.33%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.45%	95.56%
CHEMBL255	P29275	Adenosine A2b receptor	91.57%	98.59%
CHEMBL1806	P11388	DNA topoisomerase II alpha	89.68%	89.00%
CHEMBL4040	P28482	MAP kinase ERK2	88.55%	83.82%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	88.21%	91.11%
CHEMBL3401	O75469	Pregnane X receptor	82.42%	94.73%
CHEMBL253	P34972	Cannabinoid CB2 receptor	82.11%	97.25%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	81.91%	82.69%
CHEMBL3060	Q9Y345	Glycine transporter 2	80.57%	99.17%

Plants that contains it

• Boronia ternata

Cross-Links

• PubChem: 265748
• LOTUS: LTS0201308
• wikiData: Q82035414