U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H14ClN3O
Molecular Weight 323.776
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of L-738372

SMILES

ClC1=CC2=C(NC(=O)N[C@]2(C#CC3=NC=CC=C3)C4CC4)C=C1

InChI

InChIKey=VQWNFBGVGJSEIS-GOSISDBHSA-N
InChI=1S/C18H14ClN3O/c19-13-6-7-16-15(11-13)18(12-4-5-12,22-17(23)21-16)9-8-14-3-1-2-10-20-14/h1-3,6-7,10-12H,4-5H2,(H2,21,22,23)/t18-/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H14ClN3O
Molecular Weight 323.776
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:46:27 UTC 2023
Edited
by admin
on Sat Dec 16 15:46:27 UTC 2023
Record UNII
1HCT9K064Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
L-738372
Code English
2(1H)-QUINAZOLINONE, 6-CHLORO-4-CYCLOPROPYL-3,4-DIHYDRO-4-(2-PYRIDINYLETHYNYL)-, (4S)-
Systematic Name English
L-738,372
Code English
2(1H)-QUINAZOLINONE, 6-CHLORO-4-CYCLOPROPYL-3,4-DIHYDRO-4-(2-PYRIDINYLETHYNYL)-, (S)-
Systematic Name English
6-CHLORO-4(S)-CYCLOPROPYL-3,4-DIHYDRO-4-((2-PYRIDYL)ETHYNYL)QUINAZOLIN-2(1H)-ONE
Systematic Name English
PEQ
Common Name English
Code System Code Type Description
CAS
153922-98-6
Created by admin on Sat Dec 16 15:46:27 UTC 2023 , Edited by admin on Sat Dec 16 15:46:27 UTC 2023
PRIMARY
PUBCHEM
72417
Created by admin on Sat Dec 16 15:46:27 UTC 2023 , Edited by admin on Sat Dec 16 15:46:27 UTC 2023
PRIMARY
FDA UNII
1HCT9K064Q
Created by admin on Sat Dec 16 15:46:27 UTC 2023 , Edited by admin on Sat Dec 16 15:46:27 UTC 2023
PRIMARY
Related Record Type Details
METABOLIC ENZYME -> SUBSTRATE
TARGET -> INHIBITOR
IC50
Related Record Type Details
METABOLITE -> PARENT
IN VITRO
METABOLITE -> PARENT
IN VITRO