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144653-43-0 | 4-Quinolinamine, N-[4-(4-methyl-1-piperazinyl)phenyl]-6-phenyl-
CAS No: 144653-43-0 Catalog No: AG001JXF MDL No:
Product Description
Catalog Number:
AG001JXF
Chemical Name:
4-Quinolinamine, N-[4-(4-methyl-1-piperazinyl)phenyl]-6-phenyl-
CAS Number:
144653-43-0
Molecular Formula:
C26H26N4
Molecular Weight:
394.5114
IUPAC Name:
N-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylquinolin-4-amine
InChI:
InChI=1S/C26H26N4/c1-29-15-17-30(18-16-29)23-10-8-22(9-11-23)28-26-13-14-27-25-12-7-21(19-24(25)26)20-5-3-2-4-6-20/h2-14,19H,15-18H2,1H3,(H,27,28)
InChI Key:
YMBNETKULXIEPR-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1ccc(cc1)Nc1ccnc2c1cc(cc2)c1ccccc1
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.216g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
394.522g/mol
Monoisotopic Mass:
394.216g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
31.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
Literature
| Title | Journal |
|---|---|
| 4-Anilino-6-phenyl-quinoline inhibitors of mitogen activated protein kinase-activated protein kinase 2 (MK2). | Bioorganic & medicinal chemistry letters 20100815 |
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