3-methyl-3H-quinoxalin-2-one

C9H8N2O — CID 90761700

IUPAC3-methyl-3H-quinoxalin-2-one
SMILESCC1N=c2ccccc2=NC1=O
InChIInChI=1S/C9H8N2O/c1-6-9(12)11-8-5-3-2-4-7(8)10-6/h2-6H,1H3
InChIKeyYFINRLSRWHEPRS-UHFFFAOYSA-N
MW160.18 g/mol
LogP-0.15
Rot. Bonds

About 3-methyl-3H-quinoxalin-2-one

3-methyl-3H-quinoxalin-2-one (PubChem CID 90761700) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 3-methyl-3H-quinoxalin-2-one.

Molecular Properties

Compound Name3-methyl-3H-quinoxalin-2-one
PubChem CID90761700
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name3-methyl-3H-quinoxalin-2-one
SMILESCC1N=c2ccccc2=NC1=O
InChIInChI=1S/C9H8N2O/c1-6-9(12)11-8-5-3-2-4-7(8)10-6/h2-6H,1H3
InChIKeyYFINRLSRWHEPRS-UHFFFAOYSA-N
XLogP-0.15
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Quinoxalinedione
CID 11469229
Quinoxa-line-2,3-dione hydrochloride
CID 22073418
3-Oxochinoxalin
CID 57169914
8-bromo-7-fluoro-3-methyl-3H-quinoxalin-2-one
CID 123344481
7-bromo-3H-quinoxalin-2-one
CID 71773260
(3S)-3-methyl-3H-quinoxalin-2-one
CID 119057459
2-Amino-3-quinoxalone
CID 72207653
6-fluoro-3H-quinoxalin-2-one
CID 71773273
3-fluoro-4aH-quinoxalin-2-one
CID 76851270
3-(trifluoromethyl)-3H-quinoxalin-2-one
CID 138059371
7-bromo-3-ethyl-8-fluoro-3H-quinoxalin-2-one
CID 178188722
6,7-Dimethylquinoxaline-2,3-dione
CID 17861185

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3H-quinoxalin-2-one?
The IUPAC name of 3-methyl-3H-quinoxalin-2-one (CID 90761700) is 3-methyl-3H-quinoxalin-2-one.
What is the SMILES notation for 3-methyl-3H-quinoxalin-2-one?
The canonical SMILES for 3-methyl-3H-quinoxalin-2-one is CC1N=c2ccccc2=NC1=O.
What is the InChIKey of 3-methyl-3H-quinoxalin-2-one?
The InChIKey is YFINRLSRWHEPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c1-6-9(12)11-8-5-3-2-4-7(8)10-6/h2-6H,1H3.
What are the key properties of 3-methyl-3H-quinoxalin-2-one?
3-methyl-3H-quinoxalin-2-one has a molecular weight of 160.18 g/mol, XLogP of -0.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3H-quinoxalin-2-one is sourced from PubChem (CID 90761700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).