1-ethyl-6-fluoro-3,3-dimethyl-4H-quinoxalin-2-one

C12H15FN2O — CID 115095324

IUPAC1-ethyl-6-fluoro-3,3-dimethyl-4H-quinoxalin-2-one
SMILESCCN1C(=O)C(C)(C)Nc2cc(F)ccc21
InChIInChI=1S/C12H15FN2O/c1-4-15-10-6-5-8(13)7-9(10)14-12(2,3)11(15)16/h5-7,14H,4H2,1-3H3
InChIKeyUMDPKMJRURDWAM-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.38
Rot. Bonds1

About 1-ethyl-6-fluoro-3,3-dimethyl-4H-quinoxalin-2-one

1-ethyl-6-fluoro-3,3-dimethyl-4H-quinoxalin-2-one (PubChem CID 115095324) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 1-ethyl-6-fluoro-3,3-dimethyl-4H-quinoxalin-2-one.

Molecular Properties

Compound Name1-ethyl-6-fluoro-3,3-dimethyl-4H-quinoxalin-2-one
PubChem CID115095324
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name1-ethyl-6-fluoro-3,3-dimethyl-4H-quinoxalin-2-one
SMILESCCN1C(=O)C(C)(C)Nc2cc(F)ccc21
InChIInChI=1S/C12H15FN2O/c1-4-15-10-6-5-8(13)7-9(10)14-12(2,3)11(15)16/h5-7,14H,4H2,1-3H3
InChIKeyUMDPKMJRURDWAM-UHFFFAOYSA-N
XLogP2.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-6,7-difluoro-3,3-dimethyl-4H-quinoxalin-2-one
CID 82157548
6-(aminomethyl)-1-ethyl-3,3-dimethyl-4H-quinoxalin-2-one
CID 115096362
1-ethyl-8-fluoro-3,3-dimethyl-4H-quinoxalin-2-one
CID 115095078
3-(2,4-difluorophenyl)-5,5-dimethylimidazolidine-2,4-dione
CID 61265928
6,7-difluoro-3,3-dimethyl-1-(3-methylbutyl)-4H-quinoxalin-2-one
CID 82157550
3,3-dimethyl-1-prop-2-ynyl-4H-quinoxalin-2-one
CID 71692507
6,7-dichloro-3,3-dimethyl-1-propyl-4H-quinoxalin-2-one
CID 82157682
5-chloro-1-ethyl-3,3-dimethyl-4H-quinoxalin-2-one
CID 115094893
1-ethyl-7-hydroxy-3,3-dimethyl-5H-1,5-benzodiazepine-2,4-dione
CID 50943220
6-ethyl-1-(4-fluoro-2-iodophenyl)-3,3-dimethylpiperazine-2,5-dione
CID 79771426
3-[2-(2,4-difluorophenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 35363250
1-(2,4-difluorophenyl)-3,3-diethyl-6-methylpiperazine-2,5-dione
CID 64957867

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-fluoro-3,3-dimethyl-4H-quinoxalin-2-one?
The IUPAC name of 1-ethyl-6-fluoro-3,3-dimethyl-4H-quinoxalin-2-one (CID 115095324) is 1-ethyl-6-fluoro-3,3-dimethyl-4H-quinoxalin-2-one.
What is the SMILES notation for 1-ethyl-6-fluoro-3,3-dimethyl-4H-quinoxalin-2-one?
The canonical SMILES for 1-ethyl-6-fluoro-3,3-dimethyl-4H-quinoxalin-2-one is CCN1C(=O)C(C)(C)Nc2cc(F)ccc21.
What is the InChIKey of 1-ethyl-6-fluoro-3,3-dimethyl-4H-quinoxalin-2-one?
The InChIKey is UMDPKMJRURDWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-4-15-10-6-5-8(13)7-9(10)14-12(2,3)11(15)16/h5-7,14H,4H2,1-3H3.
What are the key properties of 1-ethyl-6-fluoro-3,3-dimethyl-4H-quinoxalin-2-one?
1-ethyl-6-fluoro-3,3-dimethyl-4H-quinoxalin-2-one has a molecular weight of 222.26 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-fluoro-3,3-dimethyl-4H-quinoxalin-2-one is sourced from PubChem (CID 115095324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).