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

Details

Stereochemistry ABSOLUTE
Molecular Formula C30H42N8O3
Molecular Weight 562.7063
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NAQUOTINIB

SMILES

CCC1=C(O[C@@H]2CCN(C2)C(=O)C=C)N=C(NC3=CC=C(C=C3)N4CCC(CC4)N5CCN(C)CC5)C(=N1)C(N)=O

InChI

InChIKey=QKDCLUARMDUUKN-XMMPIXPASA-N
InChI=1S/C30H42N8O3/c1-4-25-30(41-24-12-15-38(20-24)26(39)5-2)34-29(27(33-25)28(31)40)32-21-6-8-22(9-7-21)36-13-10-23(11-14-36)37-18-16-35(3)17-19-37/h5-9,23-24H,2,4,10-20H2,1,3H3,(H2,31,40)(H,32,34)/t24-/m1/s1

HIDE SMILES / InChI

Molecular Formula C30H42N8O3
Molecular Weight 562.7063
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 05:18:27 UTC 2023
Edited
by admin
on Sat Dec 16 05:18:27 UTC 2023
Record UNII
47DD4548PB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NAQUOTINIB
INN   USAN   WHO-DD  
USAN   INN  
Official Name English
NAQUOTINIB [USAN]
Common Name English
Naquotinib [WHO-DD]
Common Name English
ASP8273
Code English
2-PYRAZINECARBOXAMIDE, 6-ETHYL-3-((4-(4-(4-METHYL-1-PIPERAZINYL)-1-PIPERIDINYL)PHENYL)AMINO)-5-(((3R)-1-(1-OXO-2-PROPEN-1-YL)-3-PYRROLIDINYL)OXY)-
Systematic Name English
6-ETHYL-3-(4-(4-(4-METHYLPIPERAZIN-1-YL)PIPERIDIN- 1-YL)ANILINO)-5-(((3R)-1-(PROP-2-ENOYL)PYRROLIDIN- 3-YL)OXY)PYRAZINE-2-CARBOXAMIDE
Systematic Name English
naquotinib [INN]
Common Name English
ASP-8273
Code English
Classification Tree Code System Code
NCI_THESAURUS C129825
Created by admin on Sat Dec 16 05:18:27 UTC 2023 , Edited by admin on Sat Dec 16 05:18:27 UTC 2023
NCI_THESAURUS C2167
Created by admin on Sat Dec 16 05:18:27 UTC 2023 , Edited by admin on Sat Dec 16 05:18:27 UTC 2023
Code System Code Type Description
FDA UNII
47DD4548PB
Created by admin on Sat Dec 16 05:18:27 UTC 2023 , Edited by admin on Sat Dec 16 05:18:27 UTC 2023
PRIMARY
INN
10317
Created by admin on Sat Dec 16 05:18:27 UTC 2023 , Edited by admin on Sat Dec 16 05:18:27 UTC 2023
PRIMARY
USAN
CD-139
Created by admin on Sat Dec 16 05:18:27 UTC 2023 , Edited by admin on Sat Dec 16 05:18:27 UTC 2023
PRIMARY
NCI_THESAURUS
C115110
Created by admin on Sat Dec 16 05:18:27 UTC 2023 , Edited by admin on Sat Dec 16 05:18:27 UTC 2023
PRIMARY
PUBCHEM
71667668
Created by admin on Sat Dec 16 05:18:27 UTC 2023 , Edited by admin on Sat Dec 16 05:18:27 UTC 2023
PRIMARY
CAS
1448232-80-1
Created by admin on Sat Dec 16 05:18:27 UTC 2023 , Edited by admin on Sat Dec 16 05:18:27 UTC 2023
PRIMARY
DRUG BANK
DB12036
Created by admin on Sat Dec 16 05:18:27 UTC 2023 , Edited by admin on Sat Dec 16 05:18:27 UTC 2023
PRIMARY
SMS_ID
100000174645
Created by admin on Sat Dec 16 05:18:27 UTC 2023 , Edited by admin on Sat Dec 16 05:18:27 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY