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124427-64-1

124427-64-1 | 4-Quinazolinamine, 6-bromo-N-[2-(4-chlorophenyl)ethyl]-

CAS No: 124427-64-1 Catalog No: AG000M04 MDL No:

Product Description

Catalog Number:
AG000M04
Chemical Name:
4-Quinazolinamine, 6-bromo-N-[2-(4-chlorophenyl)ethyl]-
CAS Number:
124427-64-1
Molecular Formula:
C16H13BrClN3
Molecular Weight:
362.6515
IUPAC Name:
6-bromo-N-[2-(4-chlorophenyl)ethyl]quinazolin-4-amine
InChI:
InChI=1S/C16H13BrClN3/c17-12-3-6-15-14(9-12)16(21-10-20-15)19-8-7-11-1-4-13(18)5-2-11/h1-6,9-10H,7-8H2,(H,19,20,21)
InChI Key:
CYHYRQVOQVBQSD-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)CCNc1ncnc2c1cc(Br)cc2

Properties

Complexity:
323  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.998g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
362.655g/mol
Monoisotopic Mass:
360.998g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1  

Literature

Title Journal
Potent inhibitors of Huntingtin protein aggregation in a cell-based assay. Bioorganic & medicinal chemistry letters 20090315
Structure-activity relationships of quinazoline derivatives: dual-acting compounds with inhibitory activities toward both TNF-alpha production and T cell proliferation. Bioorganic & medicinal chemistry letters 20010226

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