3H-quinoxalin-2-one

C8H6N2O — CID 57169914

IUPAC3H-quinoxalin-2-one
SMILESO=C1CN=c2ccccc2=N1
InChIInChI=1S/C8H6N2O/c11-8-5-9-6-3-1-2-4-7(6)10-8/h1-4H,5H2
InChIKeyJKHDMCILNOHSBK-UHFFFAOYSA-N
MW146.15 g/mol
LogP-0.53
Rot. Bonds

About 3H-quinoxalin-2-one

3H-quinoxalin-2-one (PubChem CID 57169914) has the molecular formula C8H6N2O and a molecular weight of 146.15 g/mol. Its IUPAC name is 3H-quinoxalin-2-one.

Molecular Properties

Compound Name3H-quinoxalin-2-one
PubChem CID57169914
Molecular FormulaC8H6N2O
Molecular Weight146.15 g/mol
Exact Mass146.05
IUPAC Name3H-quinoxalin-2-one
SMILESO=C1CN=c2ccccc2=N1
InChIInChI=1S/C8H6N2O/c11-8-5-9-6-3-1-2-4-7(6)10-8/h1-4H,5H2
InChIKeyJKHDMCILNOHSBK-UHFFFAOYSA-N
XLogP-0.53
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Quinoxalinedione
CID 11469229
7-(trifluoromethyl)-3H-quinoxalin-2-one
CID 119057457
Quinoxa-line-2,3-dione hydrochloride
CID 22073418
6-Chloroquinoxaline-2,3-dione
CID 70258835
7-bromo-3H-quinoxalin-2-one
CID 71773260
(3S)-3-methyl-3H-quinoxalin-2-one
CID 119057459
2-Amino-3-quinoxalone
CID 72207653
Benzo[g]quinoxalinedione
CID 85280093
6-fluoro-3H-quinoxalin-2-one
CID 71773273
7-fluoro-4aH-quinoxalin-2-one
CID 73825725
6-fluoro-4aH-quinoxalin-2-one
CID 76844842
3-fluoro-4aH-quinoxalin-2-one
CID 76851270

Frequently Asked Questions

What is the IUPAC name of 3H-quinoxalin-2-one?
The IUPAC name of 3H-quinoxalin-2-one (CID 57169914) is 3H-quinoxalin-2-one.
What is the SMILES notation for 3H-quinoxalin-2-one?
The canonical SMILES for 3H-quinoxalin-2-one is O=C1CN=c2ccccc2=N1.
What is the InChIKey of 3H-quinoxalin-2-one?
The InChIKey is JKHDMCILNOHSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O/c11-8-5-9-6-3-1-2-4-7(6)10-8/h1-4H,5H2.
What are the key properties of 3H-quinoxalin-2-one?
3H-quinoxalin-2-one has a molecular weight of 146.15 g/mol, XLogP of -0.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-quinoxalin-2-one is sourced from PubChem (CID 57169914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).