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NSC656962,AIDS141400,AIDS-141400,NCI60_019709,7-Fluoro-4-(4-methyl-1-p

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摘 要:NSC656962,AIDS141400,AIDS-141400,NCI60_019709,7-Fluoro-4-(4-methyl-1-piperazinyl)pyrrolo[1,2-a]quinoxaline, 7-fluoro-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline,Canonical SMILES: CN1CCN(CC1)C2=NC3=C(C=CC(=C3)F)N4C2=CC=C4,InChI: InChI=1/C16H17
[Synonyms]
NSC656962
AIDS141400
AIDS-141400
NCI60_019709
7-Fluoro-4-(4-methyl-1-piperazinyl)pyrrolo[1,2-a]quinoxaline

[Structure]
NSC656962,AIDS141400,AIDS-141400,NCI60_019709,7-Fluoro-4-(4-methyl-1-p

[ Properties Computed from Structure]
Molecular Weight284.331383 [g/mol]
Molecular FormulaC16H17FN4
XLogP1.6
H-Bond Donor0
H-Bond Acceptor5
Rotatable Bond Count1
Exact Mass284.143725
MonoIsotopic Mass284.143725
Topological Polar Surface Area23.8
Heavy Atom Count21
Formal Charge0
Complexity371
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 7-fluoro-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline
Canonical SMILES: CN1CCN(CC1)C2=NC3=C(C=CC(=C3)F)N4C2=CC=C4
InChI: InChI=1/C16H17FN4/c1-19-7-9-20(10-8-19)16-15-3-2-6-21(15)14-5-4-12(17)
11-13(14)18-16/h2-6,11H,7-10H2,1H3

 
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