4-Amino-2-[4-(2,4-hexadienoyl)-1-piperazinyl]-6,7-dimethoxyquinazoline

HCID 53914432
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Basic information

Standard SMILES
CC=CC=CC(=O)N1CCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1
InChIKey
IGAQSPGTMPOCMT-UHFFFAOYSA-N
Molecular formula
C20H25N5O3
Average molar mass
383.4 g/mol

Names & identifiers

Preferred name
4-Amino-2-[4-(2,4-hexadienoyl)-1-piperazinyl]-6,7-dimethoxyquinazoline
IUPAC
1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]hexa-2,4-dien-1-one

Names & synonyms

SCHEMBL11081140IGAQSPGTMPOCMT-UHFFFAOYSA-N4-Amino-2-[4-(2,4-hexadienoyl)-1-piperazinyl]-6,7-dimethoxyquinazoline

Database identifiers

PubChem CID
53914432

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
93.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
28

Related reactions

2 records
New reaction record

Compound notes

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