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

Details

Stereochemistry ACHIRAL
Molecular Formula C24H24FN5OS
Molecular Weight 449.544
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NNI-351

SMILES

CCOC1=CC=C2N=C(N3CCCN(CC3)C(=S)NC4=C(F)C=CC=C4)C(=CC2=C1)C#N

InChI

InChIKey=RQXUPDSAFGWKMO-UHFFFAOYSA-N
InChI=1S/C24H24FN5OS/c1-2-31-19-8-9-21-17(15-19)14-18(16-26)23(27-21)29-10-5-11-30(13-12-29)24(32)28-22-7-4-3-6-20(22)25/h3-4,6-9,14-15H,2,5,10-13H2,1H3,(H,28,32)

HIDE SMILES / InChI

Molecular Formula C24H24FN5OS
Molecular Weight 449.544
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 09:06:05 GMT 2025
Edited
by admin
on Wed Apr 02 09:06:05 GMT 2025
Record UNII
97LG4X5P2E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1H-1,4-DIAZEPINE-1-CARBOTHIOAMIDE, 4-(3-CYANO-6-ETHOXY-2-QUINOLINYL)-N-(2-FLUOROPHENYL)HEXAHYDRO-
Preferred Name English
NNI-351
Common Name English
4-(3-cyano-6-ethoxyquinolin-2-yl)-N- (2-fluorophenyl)-1,4-diazepane-1-carbothiomide
Systematic Name English
4-(3-CYANO-6-ETHOXY-2-QUINOLINYL)-N-(2-FLUOROPHENYL)HEXAHYDRO-1H-1,4-DIAZEPINE-1-CARBOTHIOAMIDE
Systematic Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 880622
Created by admin on Wed Apr 02 09:06:05 GMT 2025 , Edited by admin on Wed Apr 02 09:06:05 GMT 2025
Code System Code Type Description
PUBCHEM
16661882
Created by admin on Wed Apr 02 09:06:05 GMT 2025 , Edited by admin on Wed Apr 02 09:06:05 GMT 2025
PRIMARY
WIKIPEDIA
NNI-351
Created by admin on Wed Apr 02 09:06:05 GMT 2025 , Edited by admin on Wed Apr 02 09:06:05 GMT 2025
PRIMARY
CAS
929607-23-8
Created by admin on Wed Apr 02 09:06:05 GMT 2025 , Edited by admin on Wed Apr 02 09:06:05 GMT 2025
PRIMARY
EPA CompTox
DTXSID801337119
Created by admin on Wed Apr 02 09:06:05 GMT 2025 , Edited by admin on Wed Apr 02 09:06:05 GMT 2025
PRIMARY
FDA UNII
97LG4X5P2E
Created by admin on Wed Apr 02 09:06:05 GMT 2025 , Edited by admin on Wed Apr 02 09:06:05 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR