9-ethyl-6-nitro-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione

C13H14N4O4 — CID 10266209

IUPAC9-ethyl-6-nitro-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione
SMILESCCN1CCc2c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c3c2C1
InChIInChI=1S/C13H14N4O4/c1-2-16-4-3-7-8(6-16)11-9(5-10(7)17(20)21)14-12(18)13(19)15-11/h5H,2-4,6H2,1H3,(H,14,18)(H,15,19)
InChIKeyDWEFIBGLGPTBOX-UHFFFAOYSA-N
MW290.28 g/mol
LogP0.50
Rot. Bonds2

About 9-ethyl-6-nitro-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione

9-ethyl-6-nitro-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione (PubChem CID 10266209) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is 9-ethyl-6-nitro-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione.

Molecular Properties

Compound Name9-ethyl-6-nitro-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione
PubChem CID10266209
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC Name9-ethyl-6-nitro-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione
SMILESCCN1CCc2c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c3c2C1
InChIInChI=1S/C13H14N4O4/c1-2-16-4-3-7-8(6-16)11-9(5-10(7)17(20)21)14-12(18)13(19)15-11/h5H,2-4,6H2,1H3,(H,14,18)(H,15,19)
InChIKeyDWEFIBGLGPTBOX-UHFFFAOYSA-N
XLogP0.50
TPSA112.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'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 9-ethyl-6-nitro-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione?
The IUPAC name of 9-ethyl-6-nitro-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione (CID 10266209) is 9-ethyl-6-nitro-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione.
What is the SMILES notation for 9-ethyl-6-nitro-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione?
The canonical SMILES for 9-ethyl-6-nitro-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione is CCN1CCc2c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c3c2C1.
What is the InChIKey of 9-ethyl-6-nitro-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione?
The InChIKey is DWEFIBGLGPTBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c1-2-16-4-3-7-8(6-16)11-9(5-10(7)17(20)21)14-12(18)13(19)15-11/h5H,2-4,6H2,1H3,(H,14,18)(H,15,19).
What are the key properties of 9-ethyl-6-nitro-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione?
9-ethyl-6-nitro-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione has a molecular weight of 290.28 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-6-nitro-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione is sourced from PubChem (CID 10266209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).