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

C17H13N3O5 — CID 3687310

IUPAC2-(2-methoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one
SMILESCOc1ccccc1C1OC2=C(Nc3ccc([N+](=O)[O-])cc3N2)C1=O
InChIInChI=1S/C17H13N3O5/c1-24-13-5-3-2-4-10(13)16-15(21)14-17(25-16)19-12-8-9(20(22)23)6-7-11(12)18-14/h2-8,16,18-19H,1H3
InChIKeyCOQZWJMCORLEPK-UHFFFAOYSA-N
MW339.31 g/mol
LogP2.95
Rot. Bonds3

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

2-(2-methoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one (PubChem CID 3687310) has the molecular formula C17H13N3O5 and a molecular weight of 339.31 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one
PubChem CID3687310
Molecular FormulaC17H13N3O5
Molecular Weight339.31 g/mol
Exact Mass339.09
IUPAC Name2-(2-methoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one
SMILESCOc1ccccc1C1OC2=C(Nc3ccc([N+](=O)[O-])cc3N2)C1=O
InChIInChI=1S/C17H13N3O5/c1-24-13-5-3-2-4-10(13)16-15(21)14-17(25-16)19-12-8-9(20(22)23)6-7-11(12)18-14/h2-8,16,18-19H,1H3
InChIKeyCOQZWJMCORLEPK-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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Related Compounds

7-Chloro-2-(2-methoxyphenyl)-4,9-dihydrofuro[3,2-b]quinoxalin-3-one
CID 340967
2-(2-Hydroxyphenyl)-4,9-dihydrofuro[3,2-b]quinoxalin-3-one
CID 341046
2-(4-Methoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one
CID 3314467
2-(3,4-Dimethoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one
CID 3480824
2-(3,5-Dimethoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one
CID 4016394
2-(2-Methoxyphenyl)-2,4-dihydrofuro[2,3-b]quinoxalin-3-ol
CID 340980
2-(3-Methoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one
CID 3309591
7-Nitro-2-phenyl-2,4-dihydrofuro[3,2-b]quinoxalin-3-ol
CID 3485810
2-(2-Methylphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one
CID 3577158
7-Nitro-2-(3-nitrophenyl)-4,9-dihydrofuro[3,2-b]quinoxalin-3-one
CID 3623820
2-(4-Methylphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one
CID 3922331
2-(2-Hydroxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one
CID 4298800

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one?
The IUPAC name of 2-(2-methoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one (CID 3687310) is 2-(2-methoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one.
What is the SMILES notation for 2-(2-methoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one?
The canonical SMILES for 2-(2-methoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one is COc1ccccc1C1OC2=C(Nc3ccc([N+](=O)[O-])cc3N2)C1=O.
What is the InChIKey of 2-(2-methoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one?
The InChIKey is COQZWJMCORLEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O5/c1-24-13-5-3-2-4-10(13)16-15(21)14-17(25-16)19-12-8-9(20(22)23)6-7-11(12)18-14/h2-8,16,18-19H,1H3.
What are the key properties of 2-(2-methoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one?
2-(2-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-(2-methoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one is sourced from PubChem (CID 3687310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).