4-(5-nitrofuran-2-carbonyl)-1,3-dihydroquinoxalin-2-one

C13H9N3O5 — CID 16863934

IUPAC4-(5-nitrofuran-2-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)c2ccc([N+](=O)[O-])o2)c2ccccc2N1
InChIInChI=1S/C13H9N3O5/c17-11-7-15(9-4-2-1-3-8(9)14-11)13(18)10-5-6-12(21-10)16(19)20/h1-6H,7H2,(H,14,17)
InChIKeyMUGZGKWVRAEARQ-UHFFFAOYSA-N
MW287.23 g/mol
LogP1.79
Rot. Bonds2

About 4-(5-nitrofuran-2-carbonyl)-1,3-dihydroquinoxalin-2-one

4-(5-nitrofuran-2-carbonyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 16863934) has the molecular formula C13H9N3O5 and a molecular weight of 287.23 g/mol. Its IUPAC name is 4-(5-nitrofuran-2-carbonyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(5-nitrofuran-2-carbonyl)-1,3-dihydroquinoxalin-2-one
PubChem CID16863934
Molecular FormulaC13H9N3O5
Molecular Weight287.23 g/mol
Exact Mass287.05
IUPAC Name4-(5-nitrofuran-2-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)c2ccc([N+](=O)[O-])o2)c2ccccc2N1
InChIInChI=1S/C13H9N3O5/c17-11-7-15(9-4-2-1-3-8(9)14-11)13(18)10-5-6-12(21-10)16(19)20/h1-6H,7H2,(H,14,17)
InChIKeyMUGZGKWVRAEARQ-UHFFFAOYSA-N
XLogP1.79
TPSA105.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 4-(5-nitrofuran-2-carbonyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(5-nitrofuran-2-carbonyl)-1,3-dihydroquinoxalin-2-one (CID 16863934) is 4-(5-nitrofuran-2-carbonyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(5-nitrofuran-2-carbonyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(5-nitrofuran-2-carbonyl)-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)c2ccc([N+](=O)[O-])o2)c2ccccc2N1.
What is the InChIKey of 4-(5-nitrofuran-2-carbonyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is MUGZGKWVRAEARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O5/c17-11-7-15(9-4-2-1-3-8(9)14-11)13(18)10-5-6-12(21-10)16(19)20/h1-6H,7H2,(H,14,17).
What are the key properties of 4-(5-nitrofuran-2-carbonyl)-1,3-dihydroquinoxalin-2-one?
4-(5-nitrofuran-2-carbonyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 287.23 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-nitrofuran-2-carbonyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 16863934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).