1,4-dimethyl-5-nitroquinoxaline-2,3-dione

C10H9N3O4 — CID 177185302

IUPAC1,4-dimethyl-5-nitroquinoxaline-2,3-dione
SMILESCn1c(=O)c(=O)n(C)c2c([N+](=O)[O-])cccc21
InChIInChI=1S/C10H9N3O4/c1-11-6-4-3-5-7(13(16)17)8(6)12(2)10(15)9(11)14/h3-5H,1-2H3
InChIKeyGVIYBXRLWZGNHC-UHFFFAOYSA-N
MW235.20 g/mol
LogP0.15
Rot. Bonds1

About 1,4-dimethyl-5-nitroquinoxaline-2,3-dione

1,4-dimethyl-5-nitroquinoxaline-2,3-dione (PubChem CID 177185302) has the molecular formula C10H9N3O4 and a molecular weight of 235.20 g/mol. Its IUPAC name is 1,4-dimethyl-5-nitroquinoxaline-2,3-dione.

Molecular Properties

Compound Name1,4-dimethyl-5-nitroquinoxaline-2,3-dione
PubChem CID177185302
Molecular FormulaC10H9N3O4
Molecular Weight235.20 g/mol
Exact Mass235.06
IUPAC Name1,4-dimethyl-5-nitroquinoxaline-2,3-dione
SMILESCn1c(=O)c(=O)n(C)c2c([N+](=O)[O-])cccc21
InChIInChI=1S/C10H9N3O4/c1-11-6-4-3-5-7(13(16)17)8(6)12(2)10(15)9(11)14/h3-5H,1-2H3
InChIKeyGVIYBXRLWZGNHC-UHFFFAOYSA-N
XLogP0.15
TPSA87.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-1-methyl-3-nitroquinolin-2-one
CID 162754059
3-methyl-4-nitro-1,3-benzoxazol-2-one
CID 131842931
1-methyl-7-nitrobenzimidazol-2-amine
CID 57386848
ethane;1-methyl-4-nitroindole
CID 143310904
1,8-dimethyl-3,5,7-trinitroquinolin-2-one
CID 102109905
3-methyl-7-(2-nitrophenyl)-1H-benzimidazol-2-one;hydrochloride
CID 139758755
4-hydroxy-1-methyl-3-[(2-nitrophenyl)diazenyl]quinolin-2-one
CID 135666418
1,2-dimethyl-4-nitroindazol-2-ium
CID 134938401
1,4-dimethyl-6-nitro-7-(1-phenylethylamino)quinoxaline-2,3-dione
CID 2989328
ethane;3-nitro-1-propan-2-ylpyridin-2-one
CID 142524003
4-hydroxy-8-nitro-1H-quinoxaline-2,3-dione
CID 14002040
1-(2-methoxyethyl)-3-nitropyridin-2-one
CID 89012682

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-5-nitroquinoxaline-2,3-dione?
The IUPAC name of 1,4-dimethyl-5-nitroquinoxaline-2,3-dione (CID 177185302) is 1,4-dimethyl-5-nitroquinoxaline-2,3-dione.
What is the SMILES notation for 1,4-dimethyl-5-nitroquinoxaline-2,3-dione?
The canonical SMILES for 1,4-dimethyl-5-nitroquinoxaline-2,3-dione is Cn1c(=O)c(=O)n(C)c2c([N+](=O)[O-])cccc21.
What is the InChIKey of 1,4-dimethyl-5-nitroquinoxaline-2,3-dione?
The InChIKey is GVIYBXRLWZGNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4/c1-11-6-4-3-5-7(13(16)17)8(6)12(2)10(15)9(11)14/h3-5H,1-2H3.
What are the key properties of 1,4-dimethyl-5-nitroquinoxaline-2,3-dione?
1,4-dimethyl-5-nitroquinoxaline-2,3-dione has a molecular weight of 235.20 g/mol, XLogP of 0.15, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-5-nitroquinoxaline-2,3-dione is sourced from PubChem (CID 177185302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).