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

C18H15N3O6 — CID 4553539

IUPAC2-(2,4-dimethoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one
SMILESCOc1ccc(C2OC3=C(Nc4ccc([N+](=O)[O-])cc4N3)C2=O)c(OC)c1
InChIInChI=1S/C18H15N3O6/c1-25-10-4-5-11(14(8-10)26-2)17-16(22)15-18(27-17)20-13-7-9(21(23)24)3-6-12(13)19-15/h3-8,17,19-20H,1-2H3
InChIKeyYIZVBNZPFSEMKE-UHFFFAOYSA-N
MW369.33 g/mol
LogP2.96
Rot. Bonds4

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

2-(2,4-dimethoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one (PubChem CID 4553539) has the molecular formula C18H15N3O6 and a molecular weight of 369.33 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one
PubChem CID4553539
Molecular FormulaC18H15N3O6
Molecular Weight369.33 g/mol
Exact Mass369.10
IUPAC Name2-(2,4-dimethoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one
SMILESCOc1ccc(C2OC3=C(Nc4ccc([N+](=O)[O-])cc4N3)C2=O)c(OC)c1
InChIInChI=1S/C18H15N3O6/c1-25-10-4-5-11(14(8-10)26-2)17-16(22)15-18(27-17)20-13-7-9(21(23)24)3-6-12(13)19-15/h3-8,17,19-20H,1-2H3
InChIKeyYIZVBNZPFSEMKE-UHFFFAOYSA-N
XLogP2.96
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.33
LogP ≤ 52.96
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 2-(2,4-dimethoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one (CID 4553539) is 2-(2,4-dimethoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one is COc1ccc(C2OC3=C(Nc4ccc([N+](=O)[O-])cc4N3)C2=O)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one?
The InChIKey is YIZVBNZPFSEMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O6/c1-25-10-4-5-11(14(8-10)26-2)17-16(22)15-18(27-17)20-13-7-9(21(23)24)3-6-12(13)19-15/h3-8,17,19-20H,1-2H3.
What are the key properties of 2-(2,4-dimethoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one?
2-(2,4-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-(2,4-dimethoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one is sourced from PubChem (CID 4553539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).