Compound: 4-Nitroquinoline N-oxide
SMILES: O=[N+]([O-])c1c2c([n+]([O-])cc1)cccc2
InChIKey: YHQDZJICGQWFHK-UHFFFAOYSA-N
Synonyms: 4-Nitroquinoline N-oxide, 56-57-5, 4-Nitroquinoline 1-oxide, 4-NITROQUINOLINE-N-OXIDE, Nitrochin, 4-Nitroquinoline-1-oxide, 4-NQO, Quinoline, 4-nitro-, 1-oxide, 4-Nitroquinoline oxide, 4 NQO, Quinoline, 4-nitro-, oxide, 4-Nitrochinolin N-oxid, DTXSID5025780, NSC-19645, CHEBI:16907, NSC19645, X5081510EV, 4NQO, 4 Nitroquinoline N oxide, 4 Nitroquinoline 1 oxide, RefChem:100150, DTXCID305780, 200-281-1, 4-nitro-1-oxidoquinolin-1-ium, 4-nitroquinolin-1-ium-1-olate, 4-nitroquinolin-1-ol, 4-Nitrochinoline-N-oxide, MFCD00006738, 4-Nitroquinolin-1-oxide, CCRIS 458, HSDB 4316, 4-Nitroquinoline 1-Oxide; 4-Nitroquinoline N-Oxide, NSC 19645, AI3-60200, YHQDZJICGQWFHK-UHFFFAOYSA-N, 4-nitroquinoline1-oxide, BIDD:ER0541, SCHEMBL105454, CHEMBL127655, orb1304097, WLN: T66 BNJ BO ENW, SCHEMBL29367999, CS-D0398, EX-A4093, 4-Nitroquinoline N-oxide, >=98%, NITROQUINOLINE 1-OXIDE, 4-, AB4039, EBC-04391, MSK001829, SBB006266, 4-Nitro-1-oxo-1lambda~5~-quinoline, AKOS015897246, FN03293, SB67483, 4-NITROQUINOLINE-N-OXIDE [HSDB], MSK001829-1000T, AS-58188, HY-33354, ST023478, SY076240, DB-052942, N0250, NS00014409, C03474, EN300-100463, AC-907/25014229, AG-227/30750005, Quinoline, 4-nitro-, 1-oxide (6CI,8CI,9CI), Q4637188, Z1255430993, 4-nitroquinoline-N-oxide Solution in Toluene, 1000ug/mL
Theoretical properties:
molecular_formula: C9H6N2O3
molecular_weight: 190.16 g/mol
exact_mass: 190.03784206 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 0
heavy_atom_count: 14
topological_polar_surface_area: 71.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: YELLOW NEEDLES OR PLATES FROM ACETONE
color: YELLOW NEEDLES OR PLATES FROM ACETONE
melting_point: 309 °F (NTP, 1992)
solubility: less than 1 mg/mL at 66 °F (NTP, 1992)
vapor_pressure: 0.0000026 [mmHg]
Descriptions:
pubchem: 4-nitroquinoline N-oxide is a quinoline N-oxide carrying a nitro substituent at position 4. It has a role as a carcinogenic agent. It is a quinoline N-oxide and a C-nitro compound.
chebi: A quinoline <em>N</em>-oxide carrying a nitro substituent at position 4.
chembl: 4-NITROQUINOLINE-1-OXIDE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: In enzymology, a nitroquinoline-N-oxide reductase (EC 1.7.1.9) is an enzyme that catalyzes the chemical reaction

4-(hydroxyamino)quinoline N-oxide + 2 NAD(P)+ + H2O 
  
    
      
        ⇌
      
    
    {\displaystyle \rightleftharpoons }
  
 4-nitroquinoline N-oxide + 2 NAD(P)H + 2 H+
The 4 substrates of this enzyme are 4-hydroxyaminoquinoline N-oxide, NAD+, NADP+, and H2O, whereas its 4 products are 4-nitroquinoline N-oxide, NADH, NADPH, and H+.
This enzyme belongs to the family of oxidoreductases, specifically those acting on other nitrogenous compounds as donors with NAD+ or NADP+ as acceptor.  The systematic name of this enzyme class is 4-(hydroxyamino)quinoline N-oxide:NADP+ oxidoreductase. Other names in common use include 4-nitroquinoline 1-oxide reductase, 4NQO reductase, and NAD(P)H2:4-nitroquinoline-N-oxide oxidoreductase.