CHEBI:91466 - N-[4-(3-chloro-4-fluoroanilino)-7-methoxy-6-quinazolinyl]-4-(1-piperidinyl)-2-butenamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[4-(3-chloro-4-fluoroanilino)-7-methoxy-6-quinazolinyl]-4-(1-piperidinyl)-2-butenamide
ChEBI ID CHEBI:91466
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C24H25ClFN5O2
Net Charge 0
Average Mass 469.940
Monoisotopic Mass 469.16808
InChI InChI=1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)
InChIKey LVXJQMNHJWSHET-UHFFFAOYSA-N
SMILES COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)C=CCN4CCCCC4
ChEBI Ontology
Outgoing N-[4-(3-chloro-4-fluoroanilino)-7-methoxy-6-quinazolinyl]-4-(1-piperidinyl)-2-butenamide (CHEBI:91466) is a quinazolines (CHEBI:38530)
Manual Xref Database
LSM-1223 LINCS
View more database links