DNQX

The 2,3-Quinoxalinedione,1,4-dihydro-6,7-dinitro-, with the CAS registry number 2379-57-9, is also known as 6,7-Dinitroquinoxaline-2,3-dione. It belongs to the product categories of Heterocyclic Compounds; Neurochemicals; Glutamate Receptor; Glutamate. This chemical's molecular formula is C₈H₄N₄O₆ and molecular weight is 252.14. Its IUPAC name is called 6,7-dinitro-1,4-dihydroquinoxaline-2,3-dione. This chemical is off-white powder with a yellow tinge which can be used as potent competitive non-NMDA glutamate receptor antagonist. This chemical's classification codes are Excitatory Amino Acid Agents; Excitatory amino acid antagonists; Neurotransmitter Agents.

Physical properties of 2,3-Quinoxalinedione,1,4-dihydro-6,7-dinitro-: (1)ACD/LogP: 1.13; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1.16; (4)ACD/LogD (pH 7.4): 0.95; (5)ACD/BCF (pH 5.5): 2.38; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 30.62; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 10; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.665; (13)Molar Refractivity: 53.86 cm³; (14)Molar Volume: 145 cm³; (15)Surface Tension: 79.8 dyne/cm; (16)Density: 1.738 g/cm³; (17)Flash Point: 359.4 °C; (18)Enthalpy of Vaporization: 102.1 kJ/mol; (19)Boiling Point: 670.7 °C at 760 mmHg; (20)Vapour Pressure: 1.33E-18 mmHg at 25°C.

Preparation: this chemical can be prepared by 6,7-dinitro-1,4-dihydro-quinoxaline-2,3-dione. This reaction will need reagent POCL₃, N,N-dimethylaniline. The reaction time is 90 min. The yield is about 72%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C2C(=CC(=C1[N+](=O)[O-])[N+](=O)[O-])NC(=O)C(=O)N2
(2)InChI: InChI=1S/C8H4N4O6/c13-7-8(14)10-4-2-6(12(17)18)5(11(15)16)1-3(4)9-7/h1-2H,(H,9,13)(H,10,14)
(3)InChIKey: RWVIMCIPOAXUDG-UHFFFAOYSA-N