4-[(2R)-2-(2,6-dichlorophenyl)sulfanylpropanoyl]-1,3-dihydroquinoxalin-2-one

C17H14Cl2N2O2S — CID 8621578

IUPAC4-[(2R)-2-(2,6-dichlorophenyl)sulfanylpropanoyl]-1,3-dihydroquinoxalin-2-one
SMILESC[C@@H](Sc1c(Cl)cccc1Cl)C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C17H14Cl2N2O2S/c1-10(24-16-11(18)5-4-6-12(16)19)17(23)21-9-15(22)20-13-7-2-3-8-14(13)21/h2-8,10H,9H2,1H3,(H,20,22)/t10-/m1/s1
InChIKeyJMPNPMRPDITURF-SNVBAGLBSA-N
MW381.28 g/mol
LogP4.46
Rot. Bonds3

About 4-[(2R)-2-(2,6-dichlorophenyl)sulfanylpropanoyl]-1,3-dihydroquinoxalin-2-one

4-[(2R)-2-(2,6-dichlorophenyl)sulfanylpropanoyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 8621578) has the molecular formula C17H14Cl2N2O2S and a molecular weight of 381.28 g/mol. Its IUPAC name is 4-[(2R)-2-(2,6-dichlorophenyl)sulfanylpropanoyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[(2R)-2-(2,6-dichlorophenyl)sulfanylpropanoyl]-1,3-dihydroquinoxalin-2-one
PubChem CID8621578
Molecular FormulaC17H14Cl2N2O2S
Molecular Weight381.28 g/mol
Exact Mass380.02
IUPAC Name4-[(2R)-2-(2,6-dichlorophenyl)sulfanylpropanoyl]-1,3-dihydroquinoxalin-2-one
SMILESC[C@@H](Sc1c(Cl)cccc1Cl)C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C17H14Cl2N2O2S/c1-10(24-16-11(18)5-4-6-12(16)19)17(23)21-9-15(22)20-13-7-2-3-8-14(13)21/h2-8,10H,9H2,1H3,(H,20,22)/t10-/m1/s1
InChIKeyJMPNPMRPDITURF-SNVBAGLBSA-N
XLogP4.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.28
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2S)-2-(2,6-dichlorophenyl)sulfanylpropanoyl]-1,3-dihydroquinoxalin-2-one
CID 8621573
4-[(2S)-2-(2-methylfuran-3-yl)sulfanylpropanoyl]-1,3-dihydroquinoxalin-2-one
CID 124615475
4-[2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]-1,3-dihydroquinoxalin-2-one
CID 132762267
4-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]-1,3-dihydroquinoxalin-2-one
CID 17448087
4-[(2S)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 40917838
4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one
CID 107902910
4-[(2S)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8800628
4-[(2R)-2-quinazolin-4-ylsulfanylpropanoyl]-1,3-dihydroquinoxalin-2-one
CID 41142808
methyl 4-[2-(2-chlorophenyl)sulfanylpropanoyl]-2-oxo-1,3-dihydroquinoxaline-6-carboxylate
CID 75477242
4-[(2S)-2-bromo-3-methylbutanoyl]-1,3-dihydroquinoxalin-2-one
CID 28822186
2,3-dimethyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoic acid
CID 103495892
4-[(2R)-2-(azepan-1-yl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 26613483

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-(2,6-dichlorophenyl)sulfanylpropanoyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[(2R)-2-(2,6-dichlorophenyl)sulfanylpropanoyl]-1,3-dihydroquinoxalin-2-one (CID 8621578) is 4-[(2R)-2-(2,6-dichlorophenyl)sulfanylpropanoyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[(2R)-2-(2,6-dichlorophenyl)sulfanylpropanoyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[(2R)-2-(2,6-dichlorophenyl)sulfanylpropanoyl]-1,3-dihydroquinoxalin-2-one is C[C@@H](Sc1c(Cl)cccc1Cl)C(=O)N1CC(=O)Nc2ccccc21.
What is the InChIKey of 4-[(2R)-2-(2,6-dichlorophenyl)sulfanylpropanoyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is JMPNPMRPDITURF-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H14Cl2N2O2S/c1-10(24-16-11(18)5-4-6-12(16)19)17(23)21-9-15(22)20-13-7-2-3-8-14(13)21/h2-8,10H,9H2,1H3,(H,20,22)/t10-/m1/s1.
What are the key properties of 4-[(2R)-2-(2,6-dichlorophenyl)sulfanylpropanoyl]-1,3-dihydroquinoxalin-2-one?
4-[(2R)-2-(2,6-dichlorophenyl)sulfanylpropanoyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 381.28 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-(2,6-dichlorophenyl)sulfanylpropanoyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 8621578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).