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89218-50-8 | 4-Quinazolinamine, N-(4-nitrophenyl)-2-(4-phenyl-1-piperazinyl)-
CAS No: 89218-50-8 Catalog No: AG0043MM MDL No:
Product Description
Catalog Number:
AG0043MM
Chemical Name:
4-Quinazolinamine, N-(4-nitrophenyl)-2-(4-phenyl-1-piperazinyl)-
CAS Number:
89218-50-8
Molecular Formula:
C24H22N6O2
Molecular Weight:
426.4705
IUPAC Name:
N-(4-nitrophenyl)-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine
InChI:
InChI=1S/C24H22N6O2/c31-30(32)20-12-10-18(11-13-20)25-23-21-8-4-5-9-22(21)26-24(27-23)29-16-14-28(15-17-29)19-6-2-1-3-7-19/h1-13H,14-17H2,(H,25,26,27)
InChI Key:
NUELJBQQQLVLGY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)Nc1nc(nc2c1cccc2)N1CCN(CC1)c1ccccc1
Properties
Complexity:
608
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.18g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
426.48g/mol
Monoisotopic Mass:
426.18g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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