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128924-95-8 | 4-Quinolinamine, N-(1,1-dimethylethyl)-2-phenyl-
CAS No: 128924-95-8 Catalog No: AG000YK3 MDL No:
Product Description
Catalog Number:
AG000YK3
Chemical Name:
4-Quinolinamine, N-(1,1-dimethylethyl)-2-phenyl-
CAS Number:
128924-95-8
Molecular Formula:
C19H20N2
Molecular Weight:
276.3755
IUPAC Name:
N-tert-butyl-2-phenylquinolin-4-amine
InChI:
InChI=1S/C19H20N2/c1-19(2,3)21-18-13-17(14-9-5-4-6-10-14)20-16-12-8-7-11-15(16)18/h4-13H,1-3H3,(H,20,21)
InChI Key:
FVPJOMUUSSQZKZ-UHFFFAOYSA-N
SMILES:
CC(Nc1cc(nc2c1cccc2)c1ccccc1)(C)C
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.163g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.383g/mol
Monoisotopic Mass:
276.163g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
Literature
| Title | Journal |
|---|---|
| Synthesis and quantitative structure-activity relationship analysis of 2-(aryl or heteroaryl)quinolin-4-amines, a new class of anti-HIV-1 agents. | Journal of medicinal chemistry 19910501 |
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