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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H19ClF3N5O
Molecular Weight 449.857
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of M-2698

SMILES

NC(=O)C1=C2N=CN=C(N[C@H](CN3CCC3)C4=CC(=C(Cl)C=C4)C(F)(F)F)C2=CC=C1

InChI

InChIKey=HXAUJHZZPCBFPN-QGZVFWFLSA-N
InChI=1S/C21H19ClF3N5O/c22-16-6-5-12(9-15(16)21(23,24)25)17(10-30-7-2-8-30)29-20-14-4-1-3-13(19(26)31)18(14)27-11-28-20/h1,3-6,9,11,17H,2,7-8,10H2,(H2,26,31)(H,27,28,29)/t17-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H19ClF3N5O
Molecular Weight 449.857
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 13:44:53 GMT 2023
Edited
by admin
on Sat Dec 16 13:44:53 GMT 2023
Record UNII
0DXG50I4WD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
M-2698
Code English
M2698
Code English
8-QUINAZOLINECARBOXAMIDE, 4-(((1S)-2-(1-AZETIDINYL)-1-(4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL)ETHYL)AMINO)-
Systematic Name English
(S)-4-((2-(AZETIDIN-1-YL)-1-(4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL)ETHYL)AMINO)QUINAZOLINE-8-CARBOXAMIDE
Systematic Name English
MSC-2363318A
Code English
MSC2363318A
Code English
Code System Code Type Description
DRUG BANK
DB15431
Created by admin on Sat Dec 16 13:44:53 GMT 2023 , Edited by admin on Sat Dec 16 13:44:53 GMT 2023
PRIMARY
NCI_THESAURUS
C112004
Created by admin on Sat Dec 16 13:44:53 GMT 2023 , Edited by admin on Sat Dec 16 13:44:53 GMT 2023
PRIMARY
PUBCHEM
89808643
Created by admin on Sat Dec 16 13:44:53 GMT 2023 , Edited by admin on Sat Dec 16 13:44:53 GMT 2023
PRIMARY
CAS
1379545-95-5
Created by admin on Sat Dec 16 13:44:53 GMT 2023 , Edited by admin on Sat Dec 16 13:44:53 GMT 2023
PRIMARY
FDA UNII
0DXG50I4WD
Created by admin on Sat Dec 16 13:44:53 GMT 2023 , Edited by admin on Sat Dec 16 13:44:53 GMT 2023
PRIMARY
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