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

C17H13N3O5 — CID 98103441

IUPAC(2R)-2-(2-methoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one
SMILESCOc1ccccc1[C@H]1OC2=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/t16-/m1/s1
InChIKeyCOQZWJMCORLEPK-MRXNPFEDSA-N
MW339.31 g/mol
LogP2.95
Rot. Bonds3

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

(2R)-2-(2-methoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one (PubChem CID 98103441) has the molecular formula C17H13N3O5 and a molecular weight of 339.31 g/mol. Its IUPAC name is (2R)-2-(2-methoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one.

Molecular Properties

Compound Name(2R)-2-(2-methoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one
PubChem CID98103441
Molecular FormulaC17H13N3O5
Molecular Weight339.31 g/mol
Exact Mass339.09
IUPAC Name(2R)-2-(2-methoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one
SMILESCOc1ccccc1[C@H]1OC2=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/t16-/m1/s1
InChIKeyCOQZWJMCORLEPK-MRXNPFEDSA-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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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one?
The IUPAC name of (2R)-2-(2-methoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one (CID 98103441) is (2R)-2-(2-methoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one.
What is the SMILES notation for (2R)-2-(2-methoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one?
The canonical SMILES for (2R)-2-(2-methoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one is COc1ccccc1[C@H]1OC2=C(Nc3ccc([N+](=O)[O-])cc3N2)C1=O.
What is the InChIKey of (2R)-2-(2-methoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one?
The InChIKey is COQZWJMCORLEPK-MRXNPFEDSA-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/t16-/m1/s1.
What are the key properties of (2R)-2-(2-methoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one?
(2R)-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 (2R)-2-(2-methoxyphenyl)-7-nitro-4,9-dihydrofuro[3,2-b]quinoxalin-3-one is sourced from PubChem (CID 98103441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).