4-Hydroxy-1-methyl-2-quinolone

Details

• Internal ID: b9af3e61-151f-4fb3-86cf-8a3ec89a8444
• Taxonomy: Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Hydroxyquinolones
• IUPAC Name: 4-hydroxy-1-methylquinolin-2-one
• SMILES (Canonical): CN1C2=CC=CC=C2C(=CC1=O)O
• SMILES (Isomeric): CN1C2=CC=CC=C2C(=CC1=O)O
• InChI: InChI=1S/C10H9NO2/c1-11-8-5-3-2-4-7(8)9(12)6-10(11)13/h2-6,12H,1H3
• InChI Key: RTNPPPQVXREFKX-UHFFFAOYSA-N
• Popularity: 67 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₉NO₂
• Molecular Weight: 175.18 g/mol
• Exact Mass: 175.063328530 g/mol
• Topological Polar Surface Area (TPSA): 40.50 Ų
• XlogP: 0.90

Synonyms

• 1677-46-9
• 4-hydroxy-1-methylquinolin-2(1H)-one
• 4-Hydroxy-1-methyl-2(1H)-quinolone
• 4-Hydroxy-1-methylcarbostyril
• 2(1H)-Quinolinone, 4-hydroxy-1-methyl-
• 4-Hydroxy-N-methylcarbostyril
• 1-Methyl-4-hydroxycarbostyril
• 4-Hydroxy-1-methyl-2(1H)-quinolinone
• CARBOSTYRIL, 4-HYDROXY-1-METHYL-
• 1-Methyl-4-hydroxy-2-chinolon
• 4-hydroxy-1-methylquinolin-2-one
• N-Methyl-4-hydroxykarbostyril
• 1-Methyl-4-hydroxy-2-chinolinon
• NSC 39973
• NSC39973
• MFCD00024052
• N-Methyl-4-hydroxykarbostyril [Czech]
• 1-Methyl-4-hydroxy-2-chinolon [Czech]
• V713CAW761
• NSC-39973
• 1-methyl-4-hydroxy-2(1H)-quinolinone
• N-Methyl-4-hydroxykarbostyril (CZECH)
• 1-Methyl-4-hydroxy-2-chinolon (CZECH)
• 4-hydroxy-1-methyl-1,2-dihydroquinolin-2-one
• EINECS 216-830-3
• 4-Hydroxy-1-methyl-1H-quinolin-2-one
• 4-HYDROXY-N-METHYL-2-QUINOLONE
• BRN 1528990
• 1-Methyl-4-hydroxy-2-chinolinon [Czech]
• 2(1H)-Quinolinone,4-hydroxy-1-methyl-
• Maybridge1_002182
• 4-HYDROXY-1-METHYL-1H-2-QUINOLINONE
• Oprea1_834130
• 5-21-12-00311 (Beilstein Handbook Reference)
• SCHEMBL835056
• UNII-V713CAW761
• 4-Hydroxy-1-methyl carbostyril
• CHEMBL2022051
• DTXSID0061874
• SCHEMBL13143143
• 1-methyl-4-hydroxy-2-quinolone
• HMS547L04
• WLN: T66 BNVJ B1 EQ
• n-methyl-4-hydroxy-2-quinolinone
• 2-hydroxy-1-methyl-4-quinolinone
• 4-hydroxy-1-methyl-2-quinolinone
• 4-hydroxy-1-methyl-quinolin-2-one
• AKOS000121455
• AKOS037491726
• SDCCGMLS-0065887.P001
• 1-methyl-4-hydroxyquinolin-2(1H)-one
• N-METHYL-4-HYDROXYQUINOL-2-ONE
• UPCMLD0ENAT5889157:001
• 1-METHYL-4-HYDROXYQUINOLIN-2-ONE
• 4-HYDROXY-N-METHYL-2-QUINOLINONE
• NS-01441
• SY050776
• CS-0131691
• EU-0087440
• FT-0618613
• M1009
• 4-Hydroxy-1-methyl-2(1H)-quinolone, 98%
• 4-HYDROXY-1-METHYLQUINOLINE-2(1H)-ONE
• AB00694265-02
• A810900
• W-109693
• 1-METHYL-2-OXO-1,2-DIHYDRO-4-HYDROXYQUINOLINE
• InChI=1/C10H9NO2/c1-11-8-5-3-2-4-7(8)9(12)6-10(11)13/h2-6,12H,1H

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
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	97.88%	95.56%
CHEMBL2581	P07339	Cathepsin D	96.27%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.49%	91.11%
CHEMBL1899	P46098	Serotonin 3a (5-HT3a) receptor	88.75%	100.00%
CHEMBL3192	Q9BY41	Histone deacetylase 8	88.48%	93.99%
CHEMBL1806	P11388	DNA topoisomerase II alpha	88.30%	89.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	85.98%	86.33%
CHEMBL2085	P14174	Macrophage migration inhibitory factor	85.40%	80.78%
CHEMBL5409	Q8TDU6	G-protein coupled bile acid receptor 1	84.10%	93.65%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	83.73%	96.09%
CHEMBL3401	O75469	Pregnane X receptor	82.55%	94.73%
CHEMBL4208	P20618	Proteasome component C5	82.42%	90.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	82.25%	99.23%
CHEMBL2535	P11166	Glucose transporter	80.96%	98.75%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	80.77%	99.15%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 54686436
• LOTUS: LTS0126758
• wikiData: Q72494183