CHEBI:144673 - PA-16-0081C

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ChEBI Name PA-16-0081C
ChEBI ID CHEBI:144673
Definition An organic heterotricyclic compound that is N,1,4,4-tetramethyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide substituted by a [2-methyl-4-(4-methylpiperazin-1-yl)phenyl]nitrilo group at position 8.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter alison.axtman
Supplier Information
Download Molfile XML SDF
Formula C26H34N8O
Net Charge 0
Average Mass 474.613
Monoisotopic Mass 474.28556
InChI InChI=1S/C26H34N8O/c1-16-13-18(34-11-9-32(5)10-12-34)7-8-19(16)29-25-28-15-17-14-26(2,3)20-22(24(35)27-4)31-33(6)23(20)21(17)30-25/h7-8,13,15H,9-12,14H2,1-6H3,(H,27,35)(H,28,29,30)
InChIKey SHDNXWHTEHEILL-UHFFFAOYSA-N
SMILES CN1CCN(CC1)C2=CC=C(NC3=NC=C4CC(C)(C)C5=C(N(C)N=C5C(NC)=O)C4=N3)C(C)=C2
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing PA-16-0081C (CHEBI:144673) is a N-methylpiperazine (CHEBI:46920)
PA-16-0081C (CHEBI:144673) is a aminotoluene (CHEBI:22531)
PA-16-0081C (CHEBI:144673) is a organic heterotricyclic compound (CHEBI:26979)
PA-16-0081C (CHEBI:144673) is a secondary amino compound (CHEBI:50995)
PA-16-0081C (CHEBI:144673) is a secondary carboxamide (CHEBI:140325)
PA-16-0081C (CHEBI:144673) is a tertiary amino compound (CHEBI:50996)
IUPAC Name
N,1,4,4-tetramethyl-8-[2-methyl-4-(4-methylpiperazin-1-yl)anilino]-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide
Last Modified
30 August 2019