6-bromo-7-ethyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione

C10H8BrN3O4 — CID 10638963

IUPAC6-bromo-7-ethyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione
SMILESCCc1cc2[nH]c(=O)c(=O)[nH]c2c([N+](=O)[O-])c1Br
InChIInChI=1S/C10H8BrN3O4/c1-2-4-3-5-7(8(6(4)11)14(17)18)13-10(16)9(15)12-5/h3H,2H2,1H3,(H,12,15)(H,13,16)
InChIKeyQMDXUPMQMIYWSB-UHFFFAOYSA-N
MW314.10 g/mol
LogP1.45
Rot. Bonds2

About 6-bromo-7-ethyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione

6-bromo-7-ethyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 10638963) has the molecular formula C10H8BrN3O4 and a molecular weight of 314.10 g/mol. Its IUPAC name is 6-bromo-7-ethyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-bromo-7-ethyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione
PubChem CID10638963
Molecular FormulaC10H8BrN3O4
Molecular Weight314.10 g/mol
Exact Mass312.97
IUPAC Name6-bromo-7-ethyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione
SMILESCCc1cc2[nH]c(=O)c(=O)[nH]c2c([N+](=O)[O-])c1Br
InChIInChI=1S/C10H8BrN3O4/c1-2-4-3-5-7(8(6(4)11)14(17)18)13-10(16)9(15)12-5/h3H,2H2,1H3,(H,12,15)(H,13,16)
InChIKeyQMDXUPMQMIYWSB-UHFFFAOYSA-N
XLogP1.45
TPSA108.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.10
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 6-bromo-7-ethyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-bromo-7-ethyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione (CID 10638963) is 6-bromo-7-ethyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-bromo-7-ethyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-bromo-7-ethyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione is CCc1cc2[nH]c(=O)c(=O)[nH]c2c([N+](=O)[O-])c1Br.
What is the InChIKey of 6-bromo-7-ethyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is QMDXUPMQMIYWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O4/c1-2-4-3-5-7(8(6(4)11)14(17)18)13-10(16)9(15)12-5/h3H,2H2,1H3,(H,12,15)(H,13,16).
What are the key properties of 6-bromo-7-ethyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione?
6-bromo-7-ethyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 314.10 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-ethyl-5-nitro-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 10638963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).