N-(4-(3-CHLORO-4-FLUORO-ANILINO)-7-METHOXY-QUINAZOLIN-6-YL)-4-(2-OXO-1-PIPERIDYL)BUT-2-ENAMIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C24H23ClFN5O3
Molecular Weight	483.923
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of N-(4-(3-CHLORO-4-FLUORO-ANILINO)-7-METHOXY-QUINAZOLIN-6-YL)-4-(2-OXO-1-PIPERIDYL)BUT-2-ENAMIDE

Structure Search

SMILES

COC1=C(NC(=O)\C=C\CN2CCCCC2=O)C=C3C(NC4=CC=C(F)C(Cl)=C4)=NC=NC3=C1

InChI

InChIKey=RFUDSLVKYOYDIG-SNAWJCMRSA-N

InChI=1S/C24H23ClFN5O3/c1-34-21-13-19-16(24(28-14-27-19)29-15-7-8-18(26)17(25)11-15)12-20(21)30-22(32)5-4-10-31-9-3-2-6-23(31)33/h4-5,7-8,11-14H,2-3,6,9-10H2,1H3,(H,30,32)(H,27,28,29)/b5-4+

HIDE SMILES / InChI

Molecular Formula	C24H23ClFN5O3
Molecular Weight	483.923
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 10:04:09 UTC 2023` Edited by `admin` on `Sat Dec 16 10:04:09 UTC 2023`
Record UNII	1Z192N44RY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-(4-(3-CHLORO-4-FLUORO-ANILINO)-7-METHOXY-QUINAZOLIN-6-YL)-4-(2-OXO-1-PIPERIDYL)BUT-2-ENAMIDE

Systematic Name

English

(E)-N-(4-((3-CHLORO-4-FLUOROPHENYL)AMINO)-7-METHOXYQUINAZOLIN-6-YL)-4-(2-OXOPIPERIDIN-1-YL)BUT-2-ENAMIDE

Systematic Name

English

(E)-N-(4-(3-CHLORO-4-FLUORO-ANILINO)-7-METHOXY-QUINAZOLIN-6-YL)-4-(2-OXO-1-PIPERIDYL)BUT-2-ENAMIDE

Systematic Name

English

DACOMITINIB METABOLITE M9

Common Name

English

Code System Code Type Description

PUBCHEM

118796529

Created by admin on Sat Dec 16 10:04:10 UTC 2023 , Edited by admin on Sat Dec 16 10:04:10 UTC 2023

PRIMARY

FDA UNII

1Z192N44RY

Created by admin on Sat Dec 16 10:04:10 UTC 2023 , Edited by admin on Sat Dec 16 10:04:10 UTC 2023

PRIMARY

Related Record Type Details


					2XJX250C20

DACOMITINIB ANHYDROUS

PARENT -> METABOLITE

Interaction Type:

MINOR

Qualification:

FECAL