ethyl 7-methoxy-8-nitro-3-oxo-4H-quinoxaline-2-carboxylate

C12H11N3O6 — CID 23463841

IUPACethyl 7-methoxy-8-nitro-3-oxo-4H-quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2c([N+](=O)[O-])c(OC)ccc2[nH]c1=O
InChIInChI=1S/C12H11N3O6/c1-3-21-12(17)9-11(16)13-6-4-5-7(20-2)10(15(18)19)8(6)14-9/h4-5H,3H2,1-2H3,(H,13,16)
InChIKeyUPKVOVBBOAGPIW-UHFFFAOYSA-N
MW293.24 g/mol
LogP1.02
Rot. Bonds4

About ethyl 7-methoxy-8-nitro-3-oxo-4H-quinoxaline-2-carboxylate

ethyl 7-methoxy-8-nitro-3-oxo-4H-quinoxaline-2-carboxylate (PubChem CID 23463841) has the molecular formula C12H11N3O6 and a molecular weight of 293.24 g/mol. Its IUPAC name is ethyl 7-methoxy-8-nitro-3-oxo-4H-quinoxaline-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-methoxy-8-nitro-3-oxo-4H-quinoxaline-2-carboxylate
PubChem CID23463841
Molecular FormulaC12H11N3O6
Molecular Weight293.24 g/mol
Exact Mass293.06
IUPAC Nameethyl 7-methoxy-8-nitro-3-oxo-4H-quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2c([N+](=O)[O-])c(OC)ccc2[nH]c1=O
InChIInChI=1S/C12H11N3O6/c1-3-21-12(17)9-11(16)13-6-4-5-7(20-2)10(15(18)19)8(6)14-9/h4-5H,3H2,1-2H3,(H,13,16)
InChIKeyUPKVOVBBOAGPIW-UHFFFAOYSA-N
XLogP1.02
TPSA124.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 51.02
H-Bond Donors ≤ 51
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'}

Analyze ethyl 7-methoxy-8-nitro-3-oxo-4H-quinoxaline-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 7-methoxy-8-nitro-3-oxo-4H-quinoxaline-2-carboxylate?
The IUPAC name of ethyl 7-methoxy-8-nitro-3-oxo-4H-quinoxaline-2-carboxylate (CID 23463841) is ethyl 7-methoxy-8-nitro-3-oxo-4H-quinoxaline-2-carboxylate.
What is the SMILES notation for ethyl 7-methoxy-8-nitro-3-oxo-4H-quinoxaline-2-carboxylate?
The canonical SMILES for ethyl 7-methoxy-8-nitro-3-oxo-4H-quinoxaline-2-carboxylate is CCOC(=O)c1nc2c([N+](=O)[O-])c(OC)ccc2[nH]c1=O.
What is the InChIKey of ethyl 7-methoxy-8-nitro-3-oxo-4H-quinoxaline-2-carboxylate?
The InChIKey is UPKVOVBBOAGPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O6/c1-3-21-12(17)9-11(16)13-6-4-5-7(20-2)10(15(18)19)8(6)14-9/h4-5H,3H2,1-2H3,(H,13,16).
What are the key properties of ethyl 7-methoxy-8-nitro-3-oxo-4H-quinoxaline-2-carboxylate?
ethyl 7-methoxy-8-nitro-3-oxo-4H-quinoxaline-2-carboxylate has a molecular weight of 293.24 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methoxy-8-nitro-3-oxo-4H-quinoxaline-2-carboxylate is sourced from PubChem (CID 23463841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).