EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:121832 - N-(1-benzylpiperidin-4-yl)-2-(pyridin-3-yl)quinazolin-4-amine

ChEBI IDCHEBI:121832
ChEBI NameN-(1-benzylpiperidin-4-yl)-2-(pyridin-3-yl)quinazolin-4-amine
Stars
ASCII NameN-(1-benzylpiperidin-4-yl)-2-(pyridin-3-yl)quinazolin-4-amine
DefinitionA member of the class of quinazolines that is quinazoline which is substituted by a pyridin-3-yl group and a (1-benzylpiperidin-4-yl)nitrilo group at positions 2 and 4, respectively.
Last Modified13 March 2019
DownloadsMolfile
FormulaC25H25N5
Net Charge0
Average Mass395.510
Monoisotopic Mass395.21100
SMILESc1ccc(CN2CCC(Nc3nc(-c4cccnc4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C25H25N5/c1-2-7-19(8-3-1)18-30-15-12-21(13-16-30)27-25-22-10-4-5-11-23(22)28-24(29-25)20-9-6-14-26-17-20/h1-11,14,17,21H,12-13,15-16,18H2,(H,27,28,29)
InChIKeyFPSNRFFFQDOELT-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)
N-(1-benzylpiperidin-4-yl)-2-(pyridin-3-yl)quinazolin-4-amine (CHEBI:121832) is a aromatic amine (CHEBI:33860)
N-(1-benzylpiperidin-4-yl)-2-(pyridin-3-yl)quinazolin-4-amine (CHEBI:121832) is a piperidines (CHEBI:26151)
N-(1-benzylpiperidin-4-yl)-2-(pyridin-3-yl)quinazolin-4-amine (CHEBI:121832) is a pyridines (CHEBI:26421)
N-(1-benzylpiperidin-4-yl)-2-(pyridin-3-yl)quinazolin-4-amine (CHEBI:121832) is a quinazolines (CHEBI:38530)
N-(1-benzylpiperidin-4-yl)-2-(pyridin-3-yl)quinazolin-4-amine (CHEBI:121832) is a secondary amino compound (CHEBI:50995)
N-(1-benzylpiperidin-4-yl)-2-(pyridin-3-yl)quinazolin-4-amine (CHEBI:121832) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
N-(1-benzylpiperidin-4-yl)-2-(pyridin-3-yl)quinazolin-4-amine
Synonym  Source
N-[1-(phenylmethyl)-4-piperidinyl]-2-(3-pyridinyl)-4-quinazolinamineChEBI
Manual XrefsDatabases
LSM-33275LINCS
US2017001976Patent
Citations