(2E)-N-[3-Cyano-7-ethoxy-4-[[4-(2-pyridinylmethoxy)phenyl]amino]-6-quinolinyl]-4-(dimethylamino)-2-butenamide

Details

Stereochemistry	ACHIRAL
Molecular Formula	C30H30N6O3
Molecular Weight	522.5976
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of (2E)-N-[3-Cyano-7-ethoxy-4-[[4-(2-pyridinylmethoxy)phenyl]amino]-6-quinolinyl]-4-(dimethylamino)-2-butenamide

Structure Search

SMILES

CCOC1=C(NC(=O)\C=C\CN(C)C)C=C2C(=C1)N=CC(C#N)=C2NC3=CC=C(OCC4=NC=CC=C4)C=C3

InChI

InChIKey=MPIQYQIEOBCLFG-VQHVLOKHSA-N

InChI=1S/C30H30N6O3/c1-4-38-28-17-26-25(16-27(28)35-29(37)9-7-15-36(2)3)30(21(18-31)19-33-26)34-22-10-12-24(13-11-22)39-20-23-8-5-6-14-32-23/h5-14,16-17,19H,4,15,20H2,1-3H3,(H,33,34)(H,35,37)/b9-7+

HIDE SMILES / InChI

Molecular Formula	C30H30N6O3
Molecular Weight	522.5976
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 12:09:16 GMT 2025` Edited by `admin` on `Wed Apr 02 12:09:16 GMT 2025`
Record UNII	XCP8UEA4ME
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(2E)-N-[3-Cyano-7-ethoxy-4-[[4-(2-pyridinylmethoxy)phenyl]amino]-6-quinolinyl]-4-(dimethylamino)-2-butenamide

Systematic Name

English

Neratinib Impurity QL

Preferred Name

English

2-Butenamide, N-[3-cyano-7-ethoxy-4-[[4-(2-pyridinylmethoxy)phenyl]amino]-6-quinolinyl]-4-(dimethylamino)-, (2E)-

Systematic Name

English

Code System Code Type Description

CAS

1469746-91-5

Created by admin on Wed Apr 02 12:09:16 GMT 2025 , Edited by admin on Wed Apr 02 12:09:16 GMT 2025

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PUBCHEM

71765762

Created by admin on Wed Apr 02 12:09:16 GMT 2025 , Edited by admin on Wed Apr 02 12:09:16 GMT 2025

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FDA UNII

XCP8UEA4ME

Created by admin on Wed Apr 02 12:09:16 GMT 2025 , Edited by admin on Wed Apr 02 12:09:16 GMT 2025

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