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

C12H13N3O2 — CID 10443883

IUPAC8-methyl-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione
SMILESCN1CCc2c(ccc3[nH]c(=O)c(=O)[nH]c23)C1
InChIInChI=1S/C12H13N3O2/c1-15-5-4-8-7(6-15)2-3-9-10(8)14-12(17)11(16)13-9/h2-3H,4-6H2,1H3,(H,13,16)(H,14,17)
InChIKeyLETZOEYFMVLAIR-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.20
Rot. Bonds

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

8-methyl-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione (PubChem CID 10443883) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 8-methyl-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione.

Molecular Properties

Compound Name8-methyl-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione
PubChem CID10443883
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name8-methyl-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione
SMILESCN1CCc2c(ccc3[nH]c(=O)c(=O)[nH]c23)C1
InChIInChI=1S/C12H13N3O2/c1-15-5-4-8-7(6-15)2-3-9-10(8)14-12(17)11(16)13-9/h2-3H,4-6H2,1H3,(H,13,16)(H,14,17)
InChIKeyLETZOEYFMVLAIR-UHFFFAOYSA-N
XLogP0.20
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione?
The IUPAC name of 8-methyl-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione (CID 10443883) is 8-methyl-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione.
What is the SMILES notation for 8-methyl-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione?
The canonical SMILES for 8-methyl-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione is CN1CCc2c(ccc3[nH]c(=O)c(=O)[nH]c23)C1.
What is the InChIKey of 8-methyl-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione?
The InChIKey is LETZOEYFMVLAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-15-5-4-8-7(6-15)2-3-9-10(8)14-12(17)11(16)13-9/h2-3H,4-6H2,1H3,(H,13,16)(H,14,17).
What are the key properties of 8-methyl-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione?
8-methyl-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione has a molecular weight of 231.25 g/mol, XLogP of 0.20, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4,7,9,10-tetrahydro-1H-pyrido[4,3-f]quinoxaline-2,3-dione is sourced from PubChem (CID 10443883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).