methyl 3-[2-(2,6-dichlorophenyl)quinolin-6-yl]alaninate (CHEBI:48473)

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ChEBI Name	methyl 3-[2-(2,6-dichlorophenyl)quinolin-6-yl]alaninate

ChEBI ID	CHEBI:48473

Definition	An α-amino acid ester that is methyl alaninate substituted by a 2-(2,6-dichlorophenyl)quinolin-6-yl group at position 3.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

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Formula

C19H16Cl2N2O2

Net Charge

Average Mass

375.24900

Monoisotopic Mass

374.05888

InChI

InChI=1S/C19H16Cl2N2O2/c1-25-19(24)15(22)10-11-5-7-16-12(9-11)6-8-17(23-16)18-13(20)3-2-4-14(18)21/h2-9,15H,10,22H2,1H3

InChIKey

AKNGOJVQCIPRMH-UHFFFAOYSA-N

SMILES

COC(=O)C(N)Cc1ccc2nc(ccc2c1)-c1c(Cl)cccc1Cl

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

ChEBI Ontology
Outgoing	methyl 3-[2-(2,6-dichlorophenyl)quinolin-6-yl]alaninate (CHEBI:48473) is a α-amino acid ester (CHEBI:46874) methyl 3-[2-(2,6-dichlorophenyl)quinolin-6-yl]alaninate (CHEBI:48473) is a dichlorobenzene (CHEBI:23697) methyl 3-[2-(2,6-dichlorophenyl)quinolin-6-yl]alaninate (CHEBI:48473) is a methyl ester (CHEBI:25248) methyl 3-[2-(2,6-dichlorophenyl)quinolin-6-yl]alaninate (CHEBI:48473) is a non-proteinogenic amino acid derivative (CHEBI:83812) methyl 3-[2-(2,6-dichlorophenyl)quinolin-6-yl]alaninate (CHEBI:48473) is a primary amino compound (CHEBI:50994) methyl 3-[2-(2,6-dichlorophenyl)quinolin-6-yl]alaninate (CHEBI:48473) is a quinolines (CHEBI:26513)

Incoming	methyl N-(2,6-dichlorobenzoyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alaninate (CHEBI:48472) has functional parent methyl 3-[2-(2,6-dichlorophenyl)quinolin-6-yl]alaninate (CHEBI:48473) methyl N-(2,6-dichlorobenzyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alaninate (CHEBI:48475) has functional parent methyl 3-[2-(2,6-dichlorophenyl)quinolin-6-yl]alaninate (CHEBI:48473)

IUPAC Name

methyl 3-[2-(2,6-dichlorophenyl)quinolin-6-yl]alaninate

Synonym	Source
methyl 2-amino-3-[2-(2,6-dichlorophenyl)-6-quinolinyl]propanoate	Patent

Last Modified

13 April 2015