6-hydroxy-3,4-dihydro-1H-quinoxalin-2-one

C8H8N2O2 — CID 83480453

IUPAC6-hydroxy-3,4-dihydro-1H-quinoxalin-2-one
SMILESO=C1CNc2cc(O)ccc2N1
InChIInChI=1S/C8H8N2O2/c11-5-1-2-6-7(3-5)9-4-8(12)10-6/h1-3,9,11H,4H2,(H,10,12)
InChIKeyAINRWJHBDLUXCI-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.76
Rot. Bonds

About 6-hydroxy-3,4-dihydro-1H-quinoxalin-2-one

6-hydroxy-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 83480453) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 6-hydroxy-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name6-hydroxy-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID83480453
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name6-hydroxy-3,4-dihydro-1H-quinoxalin-2-one
SMILESO=C1CNc2cc(O)ccc2N1
InChIInChI=1S/C8H8N2O2/c11-5-1-2-6-7(3-5)9-4-8(12)10-6/h1-3,9,11H,4H2,(H,10,12)
InChIKeyAINRWJHBDLUXCI-UHFFFAOYSA-N
XLogP0.76
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 6-hydroxy-3,4-dihydro-1H-quinoxalin-2-one (CID 83480453) is 6-hydroxy-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 6-hydroxy-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 6-hydroxy-3,4-dihydro-1H-quinoxalin-2-one is O=C1CNc2cc(O)ccc2N1.
What is the InChIKey of 6-hydroxy-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is AINRWJHBDLUXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c11-5-1-2-6-7(3-5)9-4-8(12)10-6/h1-3,9,11H,4H2,(H,10,12).
What are the key properties of 6-hydroxy-3,4-dihydro-1H-quinoxalin-2-one?
6-hydroxy-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 164.16 g/mol, XLogP of 0.76, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 83480453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).