4-Bromo-N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-2-butenamide, (2E)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H19BrClFN4O3
Molecular Weight	521.767
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 4-Bromo-N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-2-butenamide, (2E)-

Structure Search

SMILES

FC1=CC=C(NC2=C3C=C(NC(=O)\C=C\CBr)C(O[C@H]4CCOC4)=CC3=NC=N2)C=C1Cl

InChI

InChIKey=IQJWAIKYBNTYPG-YUKKFKLSSA-N

InChI=1S/C22H19BrClFN4O3/c23-6-1-2-21(30)29-19-9-15-18(10-20(19)32-14-5-7-31-11-14)26-12-27-22(15)28-13-3-4-17(25)16(24)8-13/h1-4,8-10,12,14H,5-7,11H2,(H,29,30)(H,26,27,28)/b2-1+/t14-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H19BrClFN4O3
Molecular Weight	521.767
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:36:10 GMT 2025` Edited by `admin` on `Wed Apr 02 17:36:10 GMT 2025`
Record UNII	5WWC96C6TZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-Bromo-N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-2-butenamide, (2E)-

Systematic Name

English

Afatinib Impurity I

Preferred Name

English

(S,E)-4-Bromo-N-(4-((3-chloro-4-fluorophenyl)amino)-7-((tetrahydrofuran-3-yl)oxy)quinazolin-6-yl)but-2-enamide

Systematic Name

English

2-Butenamide, 4-bromo-N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-, (2E)-

Systematic Name

English

(2E)-4-Bromo-N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-2-butenamide

Systematic Name

English

Code System Code Type Description

FDA UNII

5WWC96C6TZ

Created by admin on Wed Apr 02 17:36:10 GMT 2025 , Edited by admin on Wed Apr 02 17:36:10 GMT 2025

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PUBCHEM

117821692

Created by admin on Wed Apr 02 17:36:10 GMT 2025 , Edited by admin on Wed Apr 02 17:36:10 GMT 2025

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CAS

1637254-93-3

Created by admin on Wed Apr 02 17:36:10 GMT 2025 , Edited by admin on Wed Apr 02 17:36:10 GMT 2025

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