7-nitro-2-phenyl-4,9-dihydrofuro[3,2-b]quinoxalin-3-one

C16H11N3O4 — CID 3485810

IUPAC7-nitro-2-phenyl-4,9-dihydrofuro[3,2-b]quinoxalin-3-one
SMILESO=C1C2=C(Nc3cc([N+](=O)[O-])ccc3N2)OC1c1ccccc1
InChIInChI=1S/C16H11N3O4/c20-14-13-16(23-15(14)9-4-2-1-3-5-9)18-12-8-10(19(21)22)6-7-11(12)17-13/h1-8,15,17-18H
InChIKeyDXPLUAXYUCCUAN-UHFFFAOYSA-N
MW309.28 g/mol
LogP2.94
Rot. Bonds2

About 7-nitro-2-phenyl-4,9-dihydrofuro[3,2-b]quinoxalin-3-one

7-nitro-2-phenyl-4,9-dihydrofuro[3,2-b]quinoxalin-3-one (PubChem CID 3485810) has the molecular formula C16H11N3O4 and a molecular weight of 309.28 g/mol. Its IUPAC name is 7-nitro-2-phenyl-4,9-dihydrofuro[3,2-b]quinoxalin-3-one.

Molecular Properties

Compound Name7-nitro-2-phenyl-4,9-dihydrofuro[3,2-b]quinoxalin-3-one
PubChem CID3485810
Molecular FormulaC16H11N3O4
Molecular Weight309.28 g/mol
Exact Mass309.07
IUPAC Name7-nitro-2-phenyl-4,9-dihydrofuro[3,2-b]quinoxalin-3-one
SMILESO=C1C2=C(Nc3cc([N+](=O)[O-])ccc3N2)OC1c1ccccc1
InChIInChI=1S/C16H11N3O4/c20-14-13-16(23-15(14)9-4-2-1-3-5-9)18-12-8-10(19(21)22)6-7-11(12)17-13/h1-8,15,17-18H
InChIKeyDXPLUAXYUCCUAN-UHFFFAOYSA-N
XLogP2.94
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-phenyl-4,9-dihydrofuro[3,2-b]quinoxalin-3-one?
The IUPAC name of 7-nitro-2-phenyl-4,9-dihydrofuro[3,2-b]quinoxalin-3-one (CID 3485810) is 7-nitro-2-phenyl-4,9-dihydrofuro[3,2-b]quinoxalin-3-one.
What is the SMILES notation for 7-nitro-2-phenyl-4,9-dihydrofuro[3,2-b]quinoxalin-3-one?
The canonical SMILES for 7-nitro-2-phenyl-4,9-dihydrofuro[3,2-b]quinoxalin-3-one is O=C1C2=C(Nc3cc([N+](=O)[O-])ccc3N2)OC1c1ccccc1.
What is the InChIKey of 7-nitro-2-phenyl-4,9-dihydrofuro[3,2-b]quinoxalin-3-one?
The InChIKey is DXPLUAXYUCCUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O4/c20-14-13-16(23-15(14)9-4-2-1-3-5-9)18-12-8-10(19(21)22)6-7-11(12)17-13/h1-8,15,17-18H.
What are the key properties of 7-nitro-2-phenyl-4,9-dihydrofuro[3,2-b]quinoxalin-3-one?
7-nitro-2-phenyl-4,9-dihydrofuro[3,2-b]quinoxalin-3-one has a molecular weight of 309.28 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitro-2-phenyl-4,9-dihydrofuro[3,2-b]quinoxalin-3-one is sourced from PubChem (CID 3485810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).