N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(4-ethylpiperazin-1-yl)but-2-ynamide

HCID 5328964
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Basic information

Standard SMILES
CCN1CCN(CC#CC(=O)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)CC1
InChIKey
JEZCURNCWCILAV-UHFFFAOYSA-N
Molecular formula
C24H25BrN6O
Average molar mass
493.4 g/mol
Monoisotopic mass
492.12732

Names & identifiers

Preferred name
N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(4-ethylpiperazin-1-yl)but-2-ynamide
IUPAC
N-[4-(3-bromoanilino)quinazolin-6-yl]-4-(4-ethylpiperazin-1-yl)but-2-ynamide

Names & synonyms

4-anilinoquinazoline deriv. 10kCHEMBL92356BDBM4578SCHEMBL30115316JEZCURNCWCILAV-UHFFFAOYSA-NN-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(4-ethylpiperazin-1-yl)but-2-ynamidePD1347324-(4-Ethyl-piperazin-1-yl)-but-2-ynoic acid [4-(3-bromo-phenylamino)-quinazolin-6-yl]-amide

Database identifiers

PubChem CID
5328964
ChEMBL
CHEMBL92356
Nikkaji
J1.583.324F

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
73.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
32

Related reactions

2 records
New reaction record

Compound notes

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