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

Default Structure
ChEBI IDCHEBI:48473
ChEBI Namemethyl 3-[2-(2,6-dichlorophenyl)quinolin-6-yl]alaninate
Stars
DefinitionAn α-amino acid ester that is methyl alaninate substituted by a 2-(2,6-dichlorophenyl)quinolin-6-yl group at position 3.
Last Modified13 April 2015
Submitterhcourrier
DownloadsMolfile
FormulaC19H16Cl2N2O2
Net Charge0
Average Mass375.255
Monoisotopic Mass374.05888
SMILESCOC(=O)C(N)Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1
InChIInChI=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
InChIKeyAKNGOJVQCIPRMH-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
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)
methyl 3-[2-(2,6-dichlorophenyl)quinolin-6-yl]alaninate (CHEBI:48473) is a α-amino acid ester (CHEBI:46874)
Incoming Relation(s)
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]propanoatePatent
Manual XrefsDatabases
EP1870402Patent