8-methyl-6-nitro-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione

C12H12N4O4 — CID 11778178

IUPAC8-methyl-6-nitro-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione
SMILESCN1CCc2c(c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c23)C1
InChIInChI=1S/C12H12N4O4/c1-15-3-2-6-7(5-15)9(16(19)20)4-8-10(6)14-12(18)11(17)13-8/h4H,2-3,5H2,1H3,(H,13,17)(H,14,18)
InChIKeyGFBKEXLXXAYEAN-UHFFFAOYSA-N
MW276.25 g/mol
LogP0.11
Rot. Bonds1

About 8-methyl-6-nitro-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione

8-methyl-6-nitro-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione (PubChem CID 11778178) has the molecular formula C12H12N4O4 and a molecular weight of 276.25 g/mol. Its IUPAC name is 8-methyl-6-nitro-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione.

Molecular Properties

Compound Name8-methyl-6-nitro-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione
PubChem CID11778178
Molecular FormulaC12H12N4O4
Molecular Weight276.25 g/mol
Exact Mass276.09
IUPAC Name8-methyl-6-nitro-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione
SMILESCN1CCc2c(c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c23)C1
InChIInChI=1S/C12H12N4O4/c1-15-3-2-6-7(5-15)9(16(19)20)4-8-10(6)14-12(18)11(17)13-8/h4H,2-3,5H2,1H3,(H,13,17)(H,14,18)
InChIKeyGFBKEXLXXAYEAN-UHFFFAOYSA-N
XLogP0.11
TPSA112.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-nitro-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione?
The IUPAC name of 8-methyl-6-nitro-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione (CID 11778178) is 8-methyl-6-nitro-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione.
What is the SMILES notation for 8-methyl-6-nitro-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione?
The canonical SMILES for 8-methyl-6-nitro-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione is CN1CCc2c(c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c23)C1.
What is the InChIKey of 8-methyl-6-nitro-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione?
The InChIKey is GFBKEXLXXAYEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O4/c1-15-3-2-6-7(5-15)9(16(19)20)4-8-10(6)14-12(18)11(17)13-8/h4H,2-3,5H2,1H3,(H,13,17)(H,14,18).
What are the key properties of 8-methyl-6-nitro-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione?
8-methyl-6-nitro-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione has a molecular weight of 276.25 g/mol, XLogP of 0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-nitro-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione is sourced from PubChem (CID 11778178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).