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

C16H11N3O5 — CID 4298800

IUPAC2-(2-hydroxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one
SMILESO=C1C2=C(Nc3cc([N+](=O)[O-])ccc3N2)OC1c1ccccc1O
InChIInChI=1S/C16H11N3O5/c20-12-4-2-1-3-9(12)15-14(21)13-16(24-15)18-11-7-8(19(22)23)5-6-10(11)17-13/h1-7,15,17-18,20H
InChIKeyIBMVDLVVNORMGA-UHFFFAOYSA-N
MW325.28 g/mol
LogP2.65
Rot. Bonds2

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

2-(2-hydroxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one (PubChem CID 4298800) has the molecular formula C16H11N3O5 and a molecular weight of 325.28 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one
PubChem CID4298800
Molecular FormulaC16H11N3O5
Molecular Weight325.28 g/mol
Exact Mass325.07
IUPAC Name2-(2-hydroxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one
SMILESO=C1C2=C(Nc3cc([N+](=O)[O-])ccc3N2)OC1c1ccccc1O
InChIInChI=1S/C16H11N3O5/c20-12-4-2-1-3-9(12)15-14(21)13-16(24-15)18-11-7-8(19(22)23)5-6-10(11)17-13/h1-7,15,17-18,20H
InChIKeyIBMVDLVVNORMGA-UHFFFAOYSA-N
XLogP2.65
TPSA113.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 52.65
H-Bond Donors ≤ 53
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

2-(2-Methoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one
CID 3687310
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-(3,5-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-(2,4-Dimethoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one
CID 4553539
N-hydroxy-3-oxo-2-phenyl-4,9-dihydrofuro[3,2-b]quinoxalin-7-amine oxide
CID 21157244

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one?
The IUPAC name of 2-(2-hydroxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one (CID 4298800) is 2-(2-hydroxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one.
What is the SMILES notation for 2-(2-hydroxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one?
The canonical SMILES for 2-(2-hydroxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one is O=C1C2=C(Nc3cc([N+](=O)[O-])ccc3N2)OC1c1ccccc1O.
What is the InChIKey of 2-(2-hydroxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one?
The InChIKey is IBMVDLVVNORMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O5/c20-12-4-2-1-3-9(12)15-14(21)13-16(24-15)18-11-7-8(19(22)23)5-6-10(11)17-13/h1-7,15,17-18,20H.
What are the key properties of 2-(2-hydroxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one?
2-(2-hydroxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one has a molecular weight of 325.28 g/mol, XLogP of 2.65, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one is sourced from PubChem (CID 4298800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).