4-ethyl-6,8-difluoro-3,3-dimethyl-1H-quinoxalin-2-one

C12H14F2N2O — CID 115510079

IUPAC4-ethyl-6,8-difluoro-3,3-dimethyl-1H-quinoxalin-2-one
SMILESCCN1c2cc(F)cc(F)c2NC(=O)C1(C)C
InChIInChI=1S/C12H14F2N2O/c1-4-16-9-6-7(13)5-8(14)10(9)15-11(17)12(16,2)3/h5-6H,4H2,1-3H3,(H,15,17)
InChIKeySJVHDYYKKHTSSO-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.52
Rot. Bonds1

About 4-ethyl-6,8-difluoro-3,3-dimethyl-1H-quinoxalin-2-one

4-ethyl-6,8-difluoro-3,3-dimethyl-1H-quinoxalin-2-one (PubChem CID 115510079) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is 4-ethyl-6,8-difluoro-3,3-dimethyl-1H-quinoxalin-2-one.

Molecular Properties

Compound Name4-ethyl-6,8-difluoro-3,3-dimethyl-1H-quinoxalin-2-one
PubChem CID115510079
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name4-ethyl-6,8-difluoro-3,3-dimethyl-1H-quinoxalin-2-one
SMILESCCN1c2cc(F)cc(F)c2NC(=O)C1(C)C
InChIInChI=1S/C12H14F2N2O/c1-4-16-9-6-7(13)5-8(14)10(9)15-11(17)12(16,2)3/h5-6H,4H2,1-3H3,(H,15,17)
InChIKeySJVHDYYKKHTSSO-UHFFFAOYSA-N
XLogP2.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-6,8-difluoro-1,3-dihydroquinoxalin-2-one
CID 115510094
10-ethyl-6,8-difluoro-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one
CID 115510106
8-(aminomethyl)-4-ethyl-3,3-dimethyl-1H-quinoxalin-2-one
CID 115096627
4-ethyl-3,3,7-trimethyl-1H-quinoxalin-2-one
CID 79291560
1-ethyl-2,2-dimethyl-3-oxo-4H-quinoxaline-5-carboxylic acid
CID 113332344
3-(aminomethyl)-6,8-difluoro-4-methyl-1,3-dihydroquinoxalin-2-one
CID 84625224
4-ethyl-8-fluorospiro[1H-quinoxaline-3,1'-cyclohexane]-2-one
CID 115098036
1-cyclopropyl-6,8-difluoro-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 115510067
3-ethyl-5,7-difluoro-3,4-dihydro-1H-quinoxalin-2-one
CID 84621637
6,8-difluoro-4-prop-2-ynyl-1,3-dihydroquinoxalin-2-one
CID 115510110
3-(6,8-difluoro-4-oxo-3,5-dihydro-2H-1,5-benzodiazepin-1-yl)propanoic acid
CID 84641470
3,7-diethyl-1,6,6-trimethyl-4H-pyrazolo[4,5-b]pyrazin-5-one
CID 79300576

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6,8-difluoro-3,3-dimethyl-1H-quinoxalin-2-one?
The IUPAC name of 4-ethyl-6,8-difluoro-3,3-dimethyl-1H-quinoxalin-2-one (CID 115510079) is 4-ethyl-6,8-difluoro-3,3-dimethyl-1H-quinoxalin-2-one.
What is the SMILES notation for 4-ethyl-6,8-difluoro-3,3-dimethyl-1H-quinoxalin-2-one?
The canonical SMILES for 4-ethyl-6,8-difluoro-3,3-dimethyl-1H-quinoxalin-2-one is CCN1c2cc(F)cc(F)c2NC(=O)C1(C)C.
What is the InChIKey of 4-ethyl-6,8-difluoro-3,3-dimethyl-1H-quinoxalin-2-one?
The InChIKey is SJVHDYYKKHTSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c1-4-16-9-6-7(13)5-8(14)10(9)15-11(17)12(16,2)3/h5-6H,4H2,1-3H3,(H,15,17).
What are the key properties of 4-ethyl-6,8-difluoro-3,3-dimethyl-1H-quinoxalin-2-one?
4-ethyl-6,8-difluoro-3,3-dimethyl-1H-quinoxalin-2-one has a molecular weight of 240.25 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6,8-difluoro-3,3-dimethyl-1H-quinoxalin-2-one is sourced from PubChem (CID 115510079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).