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

C18H15N3O6 — CID 3480824

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

2-(3,4-dimethoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one (PubChem CID 3480824) has the molecular formula C18H15N3O6 and a molecular weight of 369.33 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one.

Molecular Properties

• Compound Name: 2-(3,4-dimethoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one
• PubChem CID: 3480824
• Molecular Formula: C18H15N3O6
• Molecular Weight: 369.33 g/mol
• Exact Mass: 369.10
• IUPAC Name: 2-(3,4-dimethoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one
• SMILES: COc1ccc(C2OC3=C(Nc4ccc([N+](=O)[O-])cc4N3)C2=O)cc1OC
• InChI: InChI=1S/C18H15N3O6/c1-25-13-6-3-9(7-14(13)26-2)17-16(22)15-18(27-17)20-12-8-10(21(23)24)4-5-11(12)19-15/h3-8,17,19-20H,1-2H3
• InChIKey: YRLITZUJJJYRLA-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 111.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.33
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one?

The IUPAC name of 2-(3,4-dimethoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one (CID 3480824) is 2-(3,4-dimethoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one.

What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one?

The canonical SMILES for 2-(3,4-dimethoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one is COc1ccc(C2OC3=C(Nc4ccc([N+](=O)[O-])cc4N3)C2=O)cc1OC.

What is the InChIKey of 2-(3,4-dimethoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one?

The InChIKey is YRLITZUJJJYRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O6/c1-25-13-6-3-9(7-14(13)26-2)17-16(22)15-18(27-17)20-12-8-10(21(23)24)4-5-11(12)19-15/h3-8,17,19-20H,1-2H3.

What are the key properties of 2-(3,4-dimethoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one?

2-(3,4-dimethoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one has a molecular weight of 369.33 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-dimethoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one is sourced from PubChem (CID 3480824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).