1H-quinoxalin-2-one

C8H6N2O — CID 14526

IUPAC1H-quinoxalin-2-one
SMILESO=c1cnc2ccccc2[nH]1
InChIInChI=1S/C8H6N2O/c11-8-5-9-6-3-1-2-4-7(6)10-8/h1-5H,(H,10,11)
InChIKeyFFRYUAVNPBUEIC-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.92
Rot. Bonds

About 1H-quinoxalin-2-one

1H-quinoxalin-2-one (PubChem CID 14526) has the molecular formula C8H6N2O and a molecular weight of 146.15 g/mol. Its IUPAC name is 1H-quinoxalin-2-one.

Molecular Properties

Compound Name1H-quinoxalin-2-one
PubChem CID14526
Molecular FormulaC8H6N2O
Molecular Weight146.15 g/mol
Exact Mass146.05
IUPAC Name1H-quinoxalin-2-one
SMILESO=c1cnc2ccccc2[nH]1
InChIInChI=1S/C8H6N2O/c11-8-5-9-6-3-1-2-4-7(6)10-8/h1-5H,(H,10,11)
InChIKeyFFRYUAVNPBUEIC-UHFFFAOYSA-N
XLogP0.92
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-quinoxalin-2-one?
The IUPAC name of 1H-quinoxalin-2-one (CID 14526) is 1H-quinoxalin-2-one.
What is the SMILES notation for 1H-quinoxalin-2-one?
The canonical SMILES for 1H-quinoxalin-2-one is O=c1cnc2ccccc2[nH]1.
What is the InChIKey of 1H-quinoxalin-2-one?
The InChIKey is FFRYUAVNPBUEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O/c11-8-5-9-6-3-1-2-4-7(6)10-8/h1-5H,(H,10,11).
What are the key properties of 1H-quinoxalin-2-one?
1H-quinoxalin-2-one has a molecular weight of 146.15 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-quinoxalin-2-one is sourced from PubChem (CID 14526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).