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

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H26FN5O3
Molecular Weight	451.4933
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

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

Structure Search

SMILES

CN(C)C\C=C\C(=O)NC1=CC2=C(C=C1O[C@H]3CCOC3)N=CN=C2NC4=CC=C(F)C=C4

InChI

InChIKey=VZZYXLOQECVTHZ-WHLIDYPQSA-N

InChI=1S/C24H26FN5O3/c1-30(2)10-3-4-23(31)29-21-12-19-20(13-22(21)33-18-9-11-32-14-18)26-15-27-24(19)28-17-7-5-16(25)6-8-17/h3-8,12-13,15,18H,9-11,14H2,1-2H3,(H,29,31)(H,26,27,28)/b4-3+/t18-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C24H26FN5O3
Molecular Weight	451.4933
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 `Sat Dec 16 19:48:20 GMT 2023` Edited by `admin` on `Sat Dec 16 19:48:20 GMT 2023`
Record UNII	UKS6N2Y9DL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Systematic Name

English

Afatinib impurity 18

Common Name

English

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

Systematic Name

English

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

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

UKS6N2Y9DL

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

PRIMARY

PUBCHEM

138467463

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

PRIMARY

CAS

2413212-25-4

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

PRIMARY