4,8-dimethoxy-3-methyl-1H-quinolin-2-one

Details

• Internal ID: f0101640-ef81-4e24-a66b-fd7355105b2b
• Taxonomy: Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Hydroquinolones
• IUPAC Name: 4,8-dimethoxy-3-methyl-1H-quinolin-2-one
• SMILES (Canonical): CC1=C(C2=C(C(=CC=C2)OC)NC1=O)OC
• SMILES (Isomeric): CC1=C(C2=C(C(=CC=C2)OC)NC1=O)OC
• InChI: InChI=1S/C12H13NO3/c1-7-11(16-3)8-5-4-6-9(15-2)10(8)13-12(7)14/h4-6H,1-3H3,(H,13,14)
• InChI Key: QQRNLNCOQDIABC-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₁₃NO₃
• Molecular Weight: 219.24 g/mol
• Exact Mass: 219.08954328 g/mol
• Topological Polar Surface Area (TPSA): 47.60 Ų
• XlogP: 1.40

Synonyms

There are no found synonyms.

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	97.56%	95.56%
CHEMBL2535	P11166	Glucose transporter	94.72%	98.75%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	92.19%	99.23%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	90.76%	94.00%
CHEMBL1907	P15144	Aminopeptidase N	90.54%	93.31%
CHEMBL213	P08588	Beta-1 adrenergic receptor	86.07%	95.56%
CHEMBL1937	Q92769	Histone deacetylase 2	86.03%	94.75%
CHEMBL1255126	O15151	Protein Mdm4	85.96%	90.20%
CHEMBL4302	P08183	P-glycoprotein 1	85.65%	92.98%
CHEMBL1293249	Q13887	Kruppel-like factor 5	84.73%	86.33%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	80.75%	85.14%

Plants that contains it

• Haplophyllum griffithianum

Cross-Links

• PubChem: 10846522
• LOTUS: LTS0198602
• wikiData: Q105226008