7-imidazol-1-yl-5-nitro-1,4-dihydroquinoxaline-2,3-dione

C11H7N5O4 — CID 11778044

IUPAC7-imidazol-1-yl-5-nitro-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(-n3ccnc3)cc([N+](=O)[O-])c2[nH]c1=O
InChIInChI=1S/C11H7N5O4/c17-10-11(18)14-9-7(13-10)3-6(4-8(9)16(19)20)15-2-1-12-5-15/h1-5H,(H,13,17)(H,14,18)
InChIKeyCSJLKCCGNKAAJZ-UHFFFAOYSA-N
MW273.21 g/mol
LogP0.31
Rot. Bonds2

About 7-imidazol-1-yl-5-nitro-1,4-dihydroquinoxaline-2,3-dione

7-imidazol-1-yl-5-nitro-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 11778044) has the molecular formula C11H7N5O4 and a molecular weight of 273.21 g/mol. Its IUPAC name is 7-imidazol-1-yl-5-nitro-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name7-imidazol-1-yl-5-nitro-1,4-dihydroquinoxaline-2,3-dione
PubChem CID11778044
Molecular FormulaC11H7N5O4
Molecular Weight273.21 g/mol
Exact Mass273.05
IUPAC Name7-imidazol-1-yl-5-nitro-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(-n3ccnc3)cc([N+](=O)[O-])c2[nH]c1=O
InChIInChI=1S/C11H7N5O4/c17-10-11(18)14-9-7(13-10)3-6(4-8(9)16(19)20)15-2-1-12-5-15/h1-5H,(H,13,17)(H,14,18)
InChIKeyCSJLKCCGNKAAJZ-UHFFFAOYSA-N
XLogP0.31
TPSA126.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 50.31
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 7-imidazol-1-yl-5-nitro-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 7-imidazol-1-yl-5-nitro-1,4-dihydroquinoxaline-2,3-dione (CID 11778044) is 7-imidazol-1-yl-5-nitro-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 7-imidazol-1-yl-5-nitro-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 7-imidazol-1-yl-5-nitro-1,4-dihydroquinoxaline-2,3-dione is O=c1[nH]c2cc(-n3ccnc3)cc([N+](=O)[O-])c2[nH]c1=O.
What is the InChIKey of 7-imidazol-1-yl-5-nitro-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is CSJLKCCGNKAAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N5O4/c17-10-11(18)14-9-7(13-10)3-6(4-8(9)16(19)20)15-2-1-12-5-15/h1-5H,(H,13,17)(H,14,18).
What are the key properties of 7-imidazol-1-yl-5-nitro-1,4-dihydroquinoxaline-2,3-dione?
7-imidazol-1-yl-5-nitro-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 273.21 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-imidazol-1-yl-5-nitro-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 11778044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).