N-[4-[(3-Chloro-4-fluorophenyl)amino]-7-(1-methylethoxy)-6-quinazolinyl]-4-(1-piperidinyl)-2-butenamide

Details

Stereochemistry	ACHIRAL
Molecular Formula	C26H29ClFN5O2
Molecular Weight	497.992
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of N-[4-[(3-Chloro-4-fluorophenyl)amino]-7-(1-methylethoxy)-6-quinazolinyl]-4-(1-piperidinyl)-2-butenamide

Structure Search

SMILES

CC(C)OC1=CC2=C(C=C1NC(=O)\C=C\CN3CCCCC3)C(NC4=CC(Cl)=C(F)C=C4)=NC=N2

InChI

InChIKey=CVPYBKFJICOOOM-VOTSOKGWSA-N

InChI=1S/C26H29ClFN5O2/c1-17(2)35-24-15-22-19(26(30-16-29-22)31-18-8-9-21(28)20(27)13-18)14-23(24)32-25(34)7-6-12-33-10-4-3-5-11-33/h6-9,13-17H,3-5,10-12H2,1-2H3,(H,32,34)(H,29,30,31)/b7-6+

HIDE SMILES / InChI

Molecular Formula	C26H29ClFN5O2
Molecular Weight	497.992
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 `Sat Dec 16 19:48:20 GMT 2023` Edited by `admin` on `Sat Dec 16 19:48:20 GMT 2023`
Record UNII	34BGB4ZY5F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-[4-[(3-Chloro-4-fluorophenyl)amino]-7-(1-methylethoxy)-6-quinazolinyl]-4-(1-piperidinyl)-2-butenamide

Systematic Name

English

Dacomitinib Impurity D

Common Name

English

2-Butenamide, N-[4-[(3-chloro-4-fluorophenyl)amino]-7-(1-methylethoxy)-6-quinazolinyl]-4-(1-piperidinyl)-

Systematic Name

English

Code System Code Type Description

FDA UNII

34BGB4ZY5F

Created by admin on Sat Dec 16 19:48:20 GMT 2023 , Edited by admin on Sat Dec 16 19:48:20 GMT 2023

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CAS

869199-67-7

Created by admin on Sat Dec 16 19:48:20 GMT 2023 , Edited by admin on Sat Dec 16 19:48:20 GMT 2023

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PUBCHEM

66584196

Created by admin on Sat Dec 16 19:48:20 GMT 2023 , Edited by admin on Sat Dec 16 19:48:20 GMT 2023

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