N-hydroxy-3-oxo-2-phenyl-4,9-dihydrofuro[3,2-b]quinoxalin-7-amine oxide

C16H13N3O4 — CID 21157244

IUPACN-hydroxy-3-oxo-2-phenyl-4,9-dihydrofuro[3,2-b]quinoxalin-7-amine oxide
SMILESO=C1C2=C(Nc3cc([NH+]([O-])O)ccc3N2)OC1c1ccccc1
InChIInChI=1S/C16H13N3O4/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/h1-8,15,17-19,21H
InChIKeyBBXHBQMLNCSJMC-UHFFFAOYSA-N
MW311.30 g/mol
LogP1.44
Rot. Bonds2

About N-hydroxy-3-oxo-2-phenyl-4,9-dihydrofuro[3,2-b]quinoxalin-7-amine oxide

N-hydroxy-3-oxo-2-phenyl-4,9-dihydrofuro[3,2-b]quinoxalin-7-amine oxide (PubChem CID 21157244) has the molecular formula C16H13N3O4 and a molecular weight of 311.30 g/mol. Its IUPAC name is N-hydroxy-3-oxo-2-phenyl-4,9-dihydrofuro[3,2-b]quinoxalin-7-amine oxide.

Molecular Properties

Compound NameN-hydroxy-3-oxo-2-phenyl-4,9-dihydrofuro[3,2-b]quinoxalin-7-amine oxide
PubChem CID21157244
Molecular FormulaC16H13N3O4
Molecular Weight311.30 g/mol
Exact Mass311.09
IUPAC NameN-hydroxy-3-oxo-2-phenyl-4,9-dihydrofuro[3,2-b]quinoxalin-7-amine oxide
SMILESO=C1C2=C(Nc3cc([NH+]([O-])O)ccc3N2)OC1c1ccccc1
InChIInChI=1S/C16H13N3O4/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/h1-8,15,17-19,21H
InChIKeyBBXHBQMLNCSJMC-UHFFFAOYSA-N
XLogP1.44
TPSA98.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 51.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-oxo-2-phenyl-4,9-dihydrofuro[3,2-b]quinoxalin-7-amine oxide?
The IUPAC name of N-hydroxy-3-oxo-2-phenyl-4,9-dihydrofuro[3,2-b]quinoxalin-7-amine oxide (CID 21157244) is N-hydroxy-3-oxo-2-phenyl-4,9-dihydrofuro[3,2-b]quinoxalin-7-amine oxide.
What is the SMILES notation for N-hydroxy-3-oxo-2-phenyl-4,9-dihydrofuro[3,2-b]quinoxalin-7-amine oxide?
The canonical SMILES for N-hydroxy-3-oxo-2-phenyl-4,9-dihydrofuro[3,2-b]quinoxalin-7-amine oxide is O=C1C2=C(Nc3cc([NH+]([O-])O)ccc3N2)OC1c1ccccc1.
What is the InChIKey of N-hydroxy-3-oxo-2-phenyl-4,9-dihydrofuro[3,2-b]quinoxalin-7-amine oxide?
The InChIKey is BBXHBQMLNCSJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4/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/h1-8,15,17-19,21H.
What are the key properties of N-hydroxy-3-oxo-2-phenyl-4,9-dihydrofuro[3,2-b]quinoxalin-7-amine oxide?
N-hydroxy-3-oxo-2-phenyl-4,9-dihydrofuro[3,2-b]quinoxalin-7-amine oxide has a molecular weight of 311.30 g/mol, XLogP of 1.44, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-oxo-2-phenyl-4,9-dihydrofuro[3,2-b]quinoxalin-7-amine oxide is sourced from PubChem (CID 21157244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).