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

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H27ClFN5O2
Molecular Weight	483.966
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-ethoxy-6-quinazolinyl]-4-(1-piperidinyl)-2-butenamide

Structure Search

SMILES

CCOC1=CC2=NC=NC(NC3=CC=C(F)C(Cl)=C3)=C2C=C1NC(=O)C=CCN4CCCCC4

InChI

InChIKey=XDXLWHQJFSMJFZ-VOTSOKGWSA-N

InChI=1S/C25H27ClFN5O2/c1-2-34-23-15-21-18(25(29-16-28-21)30-17-8-9-20(27)19(26)13-17)14-22(23)31-24(33)7-6-12-32-10-4-3-5-11-32/h6-9,13-16H,2-5,10-12H2,1H3,(H,31,33)(H,28,29,30)/b7-6+

HIDE SMILES / InChI

Molecular Formula	C25H27ClFN5O2
Molecular Weight	483.966
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 17:23:34 GMT 2025` Edited by `admin` on `Wed Apr 02 17:23:34 GMT 2025`
Record UNII	RBU9LH7MXX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Dacomitinib Impurity C

Preferred Name

English

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

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

CAS

869199-69-9

Created by admin on Wed Apr 02 17:23:34 GMT 2025 , Edited by admin on Wed Apr 02 17:23:34 GMT 2025

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PUBCHEM

66584330

Created by admin on Wed Apr 02 17:23:34 GMT 2025 , Edited by admin on Wed Apr 02 17:23:34 GMT 2025

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FDA UNII

RBU9LH7MXX

Created by admin on Wed Apr 02 17:23:34 GMT 2025 , Edited by admin on Wed Apr 02 17:23:34 GMT 2025

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