4-[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one

C18H15FN2O3S — CID 55350333

IUPAC4-[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one
SMILESCC(=O)c1ccc(SCC(=O)N2CC(=O)Nc3ccccc32)c(F)c1
InChIInChI=1S/C18H15FN2O3S/c1-11(22)12-6-7-16(13(19)8-12)25-10-18(24)21-9-17(23)20-14-4-2-3-5-15(14)21/h2-8H,9-10H2,1H3,(H,20,23)
InChIKeyIDVZFGAUVDWFDC-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.11
Rot. Bonds4

About 4-[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one

4-[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 55350333) has the molecular formula C18H15FN2O3S and a molecular weight of 358.39 g/mol. Its IUPAC name is 4-[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one
PubChem CID55350333
Molecular FormulaC18H15FN2O3S
Molecular Weight358.39 g/mol
Exact Mass358.08
IUPAC Name4-[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one
SMILESCC(=O)c1ccc(SCC(=O)N2CC(=O)Nc3ccccc32)c(F)c1
InChIInChI=1S/C18H15FN2O3S/c1-11(22)12-6-7-16(13(19)8-12)25-10-18(24)21-9-17(23)20-14-4-2-3-5-15(14)21/h2-8H,9-10H2,1H3,(H,20,23)
InChIKeyIDVZFGAUVDWFDC-UHFFFAOYSA-N
XLogP3.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]acetamide
CID 55751110
4-[2-(2-bromophenyl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one
CID 27087539
4-(3-fluoro-4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 30713300
4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 2394470
4-[2-(3-fluoro-4-methoxyphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 17462364
4-[2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetyl]-1,3-dihydroquinoxalin-2-one
CID 9133688
[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-fluoro-4-methylbenzoate
CID 9387141
4-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 9390348
4-[2-(4-nitrophenyl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one
CID 26860702
2-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]sulfanylacetamide
CID 60734018
4-(2-nitrosoacetyl)-1,3-dihydroquinoxalin-2-one
CID 54465544
(4R)-5-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 40937988

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one (CID 55350333) is 4-[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one is CC(=O)c1ccc(SCC(=O)N2CC(=O)Nc3ccccc32)c(F)c1.
What is the InChIKey of 4-[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is IDVZFGAUVDWFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3S/c1-11(22)12-6-7-16(13(19)8-12)25-10-18(24)21-9-17(23)20-14-4-2-3-5-15(14)21/h2-8H,9-10H2,1H3,(H,20,23).
What are the key properties of 4-[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one?
4-[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 358.39 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 55350333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).