Free Chemical Databases
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[Synonyms]
6-Amino-2-(2-nitrophenyl)-5,8-quinolinedione
5,8-Quinolinedione, 6-amino-2-(2-nitrophenyl)-
61472-37-5
[Structure]
[ Properties Computed from Structure]
Molecular Weight 295.24966 [g/mol] Molecular Formula C15H9N3O4 XLogP 2.1 H-Bond Donor 1 H-Bond Acceptor 6 Rotatable Bond Count 1 Tautomer Count 3 Exact Mass 295.059306 MonoIsotopic Mass 295.059306 Topological Polar Surface Area 116 Heavy Atom Count 22 Formal Charge 0 Complexity 539 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 6-amino-2-(2-nitrophenyl)quinoline-5,8-dione
Canonical SMILES: C1=CC=C(C(=C1)C2=NC3=C(C=C2)C(=O)C(=CC3=O)N)[N+](=O)[O-]
InChI: InChI=1/C15H9N3O4/c16-10-7-13(19)14-9(15(10)20)5-6-11(17-14)8-3-1-2-4-12
(8)18(21)22/h1-7H,16H2
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