1,2,3,9-Tetrahydropyrrolo(2,1-b)quinazolin-1-carboxylic acid

Details

• Internal ID: c3e2c68e-44ff-4eaf-8c89-d0d995b5ed63
• Taxonomy: Organoheterocyclic compounds > Diazanaphthalenes > Benzodiazines > Quinazolines
• IUPAC Name: 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1-carboxylic acid
• InChI: InChI=1S/C12H12N2O2/c15-12(16)10-5-6-11-13-9-4-2-1-3-8(9)7-14(10)11/h1-4,10H,5-7H2,(H,15,16)
• InChI Key: GZQYCHREXLDRDI-UHFFFAOYSA-N
• Popularity: 4 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₁₂N₂O₂
• Molecular Weight: 216.24 g/mol
• Exact Mass: 216.089877630 g/mol
• Topological Polar Surface Area (TPSA): 52.90 Ų
• XlogP: 0.60

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.41%	96.09%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	92.02%	94.62%
CHEMBL2581	P07339	Cathepsin D	91.27%	98.95%
CHEMBL4040	P28482	MAP kinase ERK2	90.45%	83.82%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.79%	95.56%
CHEMBL1821	P08173	Muscarinic acetylcholine receptor M4	86.94%	94.08%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	86.57%	99.23%
CHEMBL6007	O75762	Transient receptor potential cation channel subfamily A member 1	85.13%	92.17%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	82.07%	95.89%

Plants that contains it

• Linaria vulgaris

Cross-Links

• PubChem: 10965928
• LOTUS: LTS0137834
• wikiData: Q105024543