5-hydroxy-3-methyl-1H-quinoxalin-2-one

C9H8N2O2 — CID 45121576

IUPAC5-hydroxy-3-methyl-1H-quinoxalin-2-one
SMILESCc1nc2c(O)cccc2[nH]c1=O
InChIInChI=1S/C9H8N2O2/c1-5-9(13)11-6-3-2-4-7(12)8(6)10-5/h2-4,12H,1H3,(H,11,13)
InChIKeyIEKDOASSQDQYQM-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.94
Rot. Bonds

About 5-hydroxy-3-methyl-1H-quinoxalin-2-one

5-hydroxy-3-methyl-1H-quinoxalin-2-one (PubChem CID 45121576) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 5-hydroxy-3-methyl-1H-quinoxalin-2-one.

Molecular Properties

Compound Name5-hydroxy-3-methyl-1H-quinoxalin-2-one
PubChem CID45121576
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name5-hydroxy-3-methyl-1H-quinoxalin-2-one
SMILESCc1nc2c(O)cccc2[nH]c1=O
InChIInChI=1S/C9H8N2O2/c1-5-9(13)11-6-3-2-4-7(12)8(6)10-5/h2-4,12H,1H3,(H,11,13)
InChIKeyIEKDOASSQDQYQM-UHFFFAOYSA-N
XLogP0.94
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-methyl-1H-quinoxalin-2-one?
The IUPAC name of 5-hydroxy-3-methyl-1H-quinoxalin-2-one (CID 45121576) is 5-hydroxy-3-methyl-1H-quinoxalin-2-one.
What is the SMILES notation for 5-hydroxy-3-methyl-1H-quinoxalin-2-one?
The canonical SMILES for 5-hydroxy-3-methyl-1H-quinoxalin-2-one is Cc1nc2c(O)cccc2[nH]c1=O.
What is the InChIKey of 5-hydroxy-3-methyl-1H-quinoxalin-2-one?
The InChIKey is IEKDOASSQDQYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-5-9(13)11-6-3-2-4-7(12)8(6)10-5/h2-4,12H,1H3,(H,11,13).
What are the key properties of 5-hydroxy-3-methyl-1H-quinoxalin-2-one?
5-hydroxy-3-methyl-1H-quinoxalin-2-one has a molecular weight of 176.17 g/mol, XLogP of 0.94, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-methyl-1H-quinoxalin-2-one is sourced from PubChem (CID 45121576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).