7-Bromo-6-chloro-3-[3-(1-allyloxycarbonyl-3-methoxy-2-piperidyl)-acetonyl]-4(3H)-quinazolinone

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H23BrClN3O5
Molecular Weight	512.781
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 7-Bromo-6-chloro-3-[3-(1-allyloxycarbonyl-3-methoxy-2-piperidyl)-acetonyl]-4(3H)-quinazolinone

Structure Search

SMILES

COC1CCCN(C1CC(=O)CN2C=NC3=C(C=C(Cl)C(Br)=C3)C2=O)C(=O)OCC=C

InChI

InChIKey=CDJLPZVTBZLIEA-UHFFFAOYSA-N

InChI=1S/C21H23BrClN3O5/c1-3-7-31-21(29)26-6-4-5-19(30-2)18(26)8-13(27)11-25-12-24-17-10-15(22)16(23)9-14(17)20(25)28/h3,9-10,12,18-19H,1,4-8,11H2,2H3

HIDE SMILES / InChI

Molecular Formula	C21H23BrClN3O5
Molecular Weight	512.781
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 20:17:40 GMT 2025` Edited by `admin` on `Tue Apr 01 20:17:40 GMT 2025`
Record UNII	E3XUU8L5RR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

7-Bromo-6-chloro-3-[3-(1-allyloxycarbonyl-3-methoxy-2-piperidyl)-acetonyl]-4(3H)-quinazolinone

Systematic Name

English

1-Piperidinecarboxylic acid, 2-[3-(7-bromo-6-chloro-4-oxo-3(4H)-quinazolinyl)-2-oxopropyl]-3-methoxy-, 2-propen-1-yl ester

Preferred Name

English

2-Propen-1-yl 2-[3-(7-bromo-6-chloro-4-oxo-3(4H)-quinazolinyl)-2-oxopropyl]-3-methoxy-1-piperidinecarboxylate

Systematic Name

English

Code System Code Type Description

CAS

17518-99-9

Created by admin on Tue Apr 01 20:17:40 GMT 2025 , Edited by admin on Tue Apr 01 20:17:40 GMT 2025

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PUBCHEM

20289806

Created by admin on Tue Apr 01 20:17:40 GMT 2025 , Edited by admin on Tue Apr 01 20:17:40 GMT 2025

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FDA UNII

E3XUU8L5RR

Created by admin on Tue Apr 01 20:17:40 GMT 2025 , Edited by admin on Tue Apr 01 20:17:40 GMT 2025

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