7-nitro-2-(3-nitrophenyl)-4,9-dihydrofuro[3,2-b]quinoxalin-3-one

C16H10N4O6 — CID 3623820

IUPAC7-nitro-2-(3-nitrophenyl)-4,9-dihydrofuro[3,2-b]quinoxalin-3-one
SMILESO=C1C2=C(Nc3cc([N+](=O)[O-])ccc3N2)OC1c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H10N4O6/c21-14-13-16(18-12-7-10(20(24)25)4-5-11(12)17-13)26-15(14)8-2-1-3-9(6-8)19(22)23/h1-7,15,17-18H
InChIKeyZQRXIMZLKHATED-UHFFFAOYSA-N
MW354.28 g/mol
LogP2.85
Rot. Bonds3

About 7-nitro-2-(3-nitrophenyl)-4,9-dihydrofuro[3,2-b]quinoxalin-3-one

7-nitro-2-(3-nitrophenyl)-4,9-dihydrofuro[3,2-b]quinoxalin-3-one (PubChem CID 3623820) has the molecular formula C16H10N4O6 and a molecular weight of 354.28 g/mol. Its IUPAC name is 7-nitro-2-(3-nitrophenyl)-4,9-dihydrofuro[3,2-b]quinoxalin-3-one.

Molecular Properties

Compound Name7-nitro-2-(3-nitrophenyl)-4,9-dihydrofuro[3,2-b]quinoxalin-3-one
PubChem CID3623820
Molecular FormulaC16H10N4O6
Molecular Weight354.28 g/mol
Exact Mass354.06
IUPAC Name7-nitro-2-(3-nitrophenyl)-4,9-dihydrofuro[3,2-b]quinoxalin-3-one
SMILESO=C1C2=C(Nc3cc([N+](=O)[O-])ccc3N2)OC1c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H10N4O6/c21-14-13-16(18-12-7-10(20(24)25)4-5-11(12)17-13)26-15(14)8-2-1-3-9(6-8)19(22)23/h1-7,15,17-18H
InChIKeyZQRXIMZLKHATED-UHFFFAOYSA-N
XLogP2.85
TPSA136.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.28
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 7-nitro-2-(3-nitrophenyl)-4,9-dihydrofuro[3,2-b]quinoxalin-3-one?
The IUPAC name of 7-nitro-2-(3-nitrophenyl)-4,9-dihydrofuro[3,2-b]quinoxalin-3-one (CID 3623820) is 7-nitro-2-(3-nitrophenyl)-4,9-dihydrofuro[3,2-b]quinoxalin-3-one.
What is the SMILES notation for 7-nitro-2-(3-nitrophenyl)-4,9-dihydrofuro[3,2-b]quinoxalin-3-one?
The canonical SMILES for 7-nitro-2-(3-nitrophenyl)-4,9-dihydrofuro[3,2-b]quinoxalin-3-one is O=C1C2=C(Nc3cc([N+](=O)[O-])ccc3N2)OC1c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 7-nitro-2-(3-nitrophenyl)-4,9-dihydrofuro[3,2-b]quinoxalin-3-one?
The InChIKey is ZQRXIMZLKHATED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O6/c21-14-13-16(18-12-7-10(20(24)25)4-5-11(12)17-13)26-15(14)8-2-1-3-9(6-8)19(22)23/h1-7,15,17-18H.
What are the key properties of 7-nitro-2-(3-nitrophenyl)-4,9-dihydrofuro[3,2-b]quinoxalin-3-one?
7-nitro-2-(3-nitrophenyl)-4,9-dihydrofuro[3,2-b]quinoxalin-3-one has a molecular weight of 354.28 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitro-2-(3-nitrophenyl)-4,9-dihydrofuro[3,2-b]quinoxalin-3-one is sourced from PubChem (CID 3623820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).