4-[[3-Chloro-4-(2-pyridinylmethoxy)phenyl]amino]-6-[[(2E)-4-(dimethylamino)-1-oxo-2-buten-1-yl]amino]-7-ethoxy-3-quinolinecarboxamide

Details

Stereochemistry	ACHIRAL
Molecular Formula	C30H31ClN6O4
Molecular Weight	575.058
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 4-[[3-Chloro-4-(2-pyridinylmethoxy)phenyl]amino]-6-[[(2E)-4-(dimethylamino)-1-oxo-2-buten-1-yl]amino]-7-ethoxy-3-quinolinecarboxamide

Structure Search

SMILES

CCOC1=CC2=NC=C(C(N)=O)C(NC3=CC=C(OCC4=NC=CC=C4)C(Cl)=C3)=C2C=C1NC(=O)\C=C\CN(C)C

InChI

InChIKey=DOKHWOSCUNXBRY-VQHVLOKHSA-N

InChI=1S/C30H31ClN6O4/c1-4-40-27-16-24-21(15-25(27)36-28(38)9-7-13-37(2)3)29(22(17-34-24)30(32)39)35-19-10-11-26(23(31)14-19)41-18-20-8-5-6-12-33-20/h5-12,14-17H,4,13,18H2,1-3H3,(H2,32,39)(H,34,35)(H,36,38)/b9-7+

HIDE SMILES / InChI

Molecular Formula	C30H31ClN6O4
Molecular Weight	575.058
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:17:05 GMT 2025` Edited by `admin` on `Wed Apr 02 19:17:05 GMT 2025`
Record UNII	SN4J7V844K
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Neratinib Impurity XA

Preferred Name

English

4-[[3-Chloro-4-(2-pyridinylmethoxy)phenyl]amino]-6-[[(2E)-4-(dimethylamino)-1-oxo-2-buten-1-yl]amino]-7-ethoxy-3-quinolinecarboxamide

Systematic Name

English

3-Quinolinecarboxamide, 4-[[3-chloro-4-(2-pyridinylmethoxy)phenyl]amino]-6-[[(2E)-4-(dimethylamino)-1-oxo-2-buten-1-yl]amino]-7-ethoxy-

Systematic Name

English

Code System Code Type Description

CAS

1376619-98-5

Created by admin on Wed Apr 02 19:17:05 GMT 2025 , Edited by admin on Wed Apr 02 19:17:05 GMT 2025

PRIMARY

FDA UNII

SN4J7V844K

Created by admin on Wed Apr 02 19:17:05 GMT 2025 , Edited by admin on Wed Apr 02 19:17:05 GMT 2025

PRIMARY

PUBCHEM

168444408

Created by admin on Wed Apr 02 19:17:05 GMT 2025 , Edited by admin on Wed Apr 02 19:17:05 GMT 2025

PRIMARY