3-Chloroisoquinolin-1(2H)-one|CS-0529565|7742-74-7

3-Chloroisoquinolin-1(2H)-one

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Sku TS246CS-0529565_250_MG
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Product Information

Product Name
3-Chloroisoquinolin-1(2H)-one
Brand Name
ChemScene
Product Number
CS-0529565
CAS
7742-74-7
Certificate of Analysis (COA)​
COA not found

General Information

PubChem CID
735146
IUPAC Name
3-chloro-2H-isoquinolin-1-one
InChI Key
MIUBFDSCKFOYCX-UHFFFAOYSA-N
SMILES
C1=CC=C2C(=C1)C=C(NC2=O)Cl

References

Computational investigation of the selectivity mechanisms of PI3Kδ inhibition with marketed idelalisib: combined molecular dynamics simulation and free energy calculation
Publication Name: Structural Chemistry
Publication Date: 2020-09-25
DOI: 10.1007/s11224-020-01643-4

From 2-(Cyanomethyl)benzoic Acids
Publication Name: Science of Synthesis
Publication Date: 2005