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

C17H13N3O5 — CID 3309591

IUPAC2-(3-methoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one
SMILESCOc1cccc(C2OC3=C(Nc4ccc([N+](=O)[O-])cc4N3)C2=O)c1
InChIInChI=1S/C17H13N3O5/c1-24-11-4-2-3-9(7-11)16-15(21)14-17(25-16)19-13-8-10(20(22)23)5-6-12(13)18-14/h2-8,16,18-19H,1H3
InChIKeyIJPXIZXZCXEGSC-UHFFFAOYSA-N
MW339.31 g/mol
LogP2.95
Rot. Bonds3

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

2-(3-methoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one (PubChem CID 3309591) has the molecular formula C17H13N3O5 and a molecular weight of 339.31 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one
PubChem CID3309591
Molecular FormulaC17H13N3O5
Molecular Weight339.31 g/mol
Exact Mass339.09
IUPAC Name2-(3-methoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one
SMILESCOc1cccc(C2OC3=C(Nc4ccc([N+](=O)[O-])cc4N3)C2=O)c1
InChIInChI=1S/C17H13N3O5/c1-24-11-4-2-3-9(7-11)16-15(21)14-17(25-16)19-13-8-10(20(22)23)5-6-12(13)18-14/h2-8,16,18-19H,1H3
InChIKeyIJPXIZXZCXEGSC-UHFFFAOYSA-N
XLogP2.95
TPSA102.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 52.95
H-Bond Donors ≤ 52
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 2-(3-methoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one?
The IUPAC name of 2-(3-methoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one (CID 3309591) is 2-(3-methoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one.
What is the SMILES notation for 2-(3-methoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one?
The canonical SMILES for 2-(3-methoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one is COc1cccc(C2OC3=C(Nc4ccc([N+](=O)[O-])cc4N3)C2=O)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one?
The InChIKey is IJPXIZXZCXEGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O5/c1-24-11-4-2-3-9(7-11)16-15(21)14-17(25-16)19-13-8-10(20(22)23)5-6-12(13)18-14/h2-8,16,18-19H,1H3.
What are the key properties of 2-(3-methoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one?
2-(3-methoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one has a molecular weight of 339.31 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one is sourced from PubChem (CID 3309591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).