4-hydroxy-8-methyl-1,7,9,10-tetrahydropyrido[4,3-f]quinoxaline-2,3-dione

C12H13N3O3 — CID 23193665

IUPAC4-hydroxy-8-methyl-1,7,9,10-tetrahydropyrido[4,3-f]quinoxaline-2,3-dione
SMILESCN1CCc2c(ccc3c2[nH]c(=O)c(=O)n3O)C1
InChIInChI=1S/C12H13N3O3/c1-14-5-4-8-7(6-14)2-3-9-10(8)13-11(16)12(17)15(9)18/h2-3,18H,4-6H2,1H3,(H,13,16)
InChIKeyBSPCWYBPQXTPHJ-UHFFFAOYSA-N
MW247.25 g/mol
LogP-0.09
Rot. Bonds

About 4-hydroxy-8-methyl-1,7,9,10-tetrahydropyrido[4,3-f]quinoxaline-2,3-dione

4-hydroxy-8-methyl-1,7,9,10-tetrahydropyrido[4,3-f]quinoxaline-2,3-dione (PubChem CID 23193665) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 4-hydroxy-8-methyl-1,7,9,10-tetrahydropyrido[4,3-f]quinoxaline-2,3-dione.

Molecular Properties

Compound Name4-hydroxy-8-methyl-1,7,9,10-tetrahydropyrido[4,3-f]quinoxaline-2,3-dione
PubChem CID23193665
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name4-hydroxy-8-methyl-1,7,9,10-tetrahydropyrido[4,3-f]quinoxaline-2,3-dione
SMILESCN1CCc2c(ccc3c2[nH]c(=O)c(=O)n3O)C1
InChIInChI=1S/C12H13N3O3/c1-14-5-4-8-7(6-14)2-3-9-10(8)13-11(16)12(17)15(9)18/h2-3,18H,4-6H2,1H3,(H,13,16)
InChIKeyBSPCWYBPQXTPHJ-UHFFFAOYSA-N
XLogP-0.09
TPSA78.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-8-methyl-1,7,9,10-tetrahydropyrido[4,3-f]quinoxaline-2,3-dione?
The IUPAC name of 4-hydroxy-8-methyl-1,7,9,10-tetrahydropyrido[4,3-f]quinoxaline-2,3-dione (CID 23193665) is 4-hydroxy-8-methyl-1,7,9,10-tetrahydropyrido[4,3-f]quinoxaline-2,3-dione.
What is the SMILES notation for 4-hydroxy-8-methyl-1,7,9,10-tetrahydropyrido[4,3-f]quinoxaline-2,3-dione?
The canonical SMILES for 4-hydroxy-8-methyl-1,7,9,10-tetrahydropyrido[4,3-f]quinoxaline-2,3-dione is CN1CCc2c(ccc3c2[nH]c(=O)c(=O)n3O)C1.
What is the InChIKey of 4-hydroxy-8-methyl-1,7,9,10-tetrahydropyrido[4,3-f]quinoxaline-2,3-dione?
The InChIKey is BSPCWYBPQXTPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-14-5-4-8-7(6-14)2-3-9-10(8)13-11(16)12(17)15(9)18/h2-3,18H,4-6H2,1H3,(H,13,16).
What are the key properties of 4-hydroxy-8-methyl-1,7,9,10-tetrahydropyrido[4,3-f]quinoxaline-2,3-dione?
4-hydroxy-8-methyl-1,7,9,10-tetrahydropyrido[4,3-f]quinoxaline-2,3-dione has a molecular weight of 247.25 g/mol, XLogP of -0.09, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-8-methyl-1,7,9,10-tetrahydropyrido[4,3-f]quinoxaline-2,3-dione is sourced from PubChem (CID 23193665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).