8-imidazol-1-yl-7-nitro-5H-imidazo[1,2-a]quinoxalin-4-one

C13H8N6O3 — CID 10357188

IUPAC8-imidazol-1-yl-7-nitro-5H-imidazo[1,2-a]quinoxalin-4-one
SMILESO=c1[nH]c2cc([N+](=O)[O-])c(-n3ccnc3)cc2n2ccnc12
InChIInChI=1S/C13H8N6O3/c20-13-12-15-2-4-18(12)9-6-10(17-3-1-14-7-17)11(19(21)22)5-8(9)16-13/h1-7H,(H,16,20)
InChIKeyMXJWAYDOSYXWBC-UHFFFAOYSA-N
MW296.25 g/mol
LogP1.27
Rot. Bonds2

About 8-imidazol-1-yl-7-nitro-5H-imidazo[1,2-a]quinoxalin-4-one

8-imidazol-1-yl-7-nitro-5H-imidazo[1,2-a]quinoxalin-4-one (PubChem CID 10357188) has the molecular formula C13H8N6O3 and a molecular weight of 296.25 g/mol. Its IUPAC name is 8-imidazol-1-yl-7-nitro-5H-imidazo[1,2-a]quinoxalin-4-one.

Molecular Properties

Compound Name8-imidazol-1-yl-7-nitro-5H-imidazo[1,2-a]quinoxalin-4-one
PubChem CID10357188
Molecular FormulaC13H8N6O3
Molecular Weight296.25 g/mol
Exact Mass296.07
IUPAC Name8-imidazol-1-yl-7-nitro-5H-imidazo[1,2-a]quinoxalin-4-one
SMILESO=c1[nH]c2cc([N+](=O)[O-])c(-n3ccnc3)cc2n2ccnc12
InChIInChI=1S/C13H8N6O3/c20-13-12-15-2-4-18(12)9-6-10(17-3-1-14-7-17)11(19(21)22)5-8(9)16-13/h1-7H,(H,16,20)
InChIKeyMXJWAYDOSYXWBC-UHFFFAOYSA-N
XLogP1.27
TPSA111.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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-imidazol-1-yl-7-nitro-5H-imidazo[1,2-a]quinoxalin-4-one?
The IUPAC name of 8-imidazol-1-yl-7-nitro-5H-imidazo[1,2-a]quinoxalin-4-one (CID 10357188) is 8-imidazol-1-yl-7-nitro-5H-imidazo[1,2-a]quinoxalin-4-one.
What is the SMILES notation for 8-imidazol-1-yl-7-nitro-5H-imidazo[1,2-a]quinoxalin-4-one?
The canonical SMILES for 8-imidazol-1-yl-7-nitro-5H-imidazo[1,2-a]quinoxalin-4-one is O=c1[nH]c2cc([N+](=O)[O-])c(-n3ccnc3)cc2n2ccnc12.
What is the InChIKey of 8-imidazol-1-yl-7-nitro-5H-imidazo[1,2-a]quinoxalin-4-one?
The InChIKey is MXJWAYDOSYXWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N6O3/c20-13-12-15-2-4-18(12)9-6-10(17-3-1-14-7-17)11(19(21)22)5-8(9)16-13/h1-7H,(H,16,20).
What are the key properties of 8-imidazol-1-yl-7-nitro-5H-imidazo[1,2-a]quinoxalin-4-one?
8-imidazol-1-yl-7-nitro-5H-imidazo[1,2-a]quinoxalin-4-one has a molecular weight of 296.25 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-imidazol-1-yl-7-nitro-5H-imidazo[1,2-a]quinoxalin-4-one is sourced from PubChem (CID 10357188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).