[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate

C22H17ClN2O4S — CID 5191092

IUPAC[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
SMILESO=C1CN(C(=O)COC(=O)CSc2cccc3cccc(Cl)c23)c2ccccc2N1
InChIInChI=1S/C22H17ClN2O4S/c23-15-7-3-5-14-6-4-10-18(22(14)15)30-13-21(28)29-12-20(27)25-11-19(26)24-16-8-1-2-9-17(16)25/h1-10H,11-13H2,(H,24,26)
InChIKeyMLKADSQFSGOCSV-UHFFFAOYSA-N
MW440.91 g/mol
LogP4.11
Rot. Bonds5

About [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate

[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate (PubChem CID 5191092) has the molecular formula C22H17ClN2O4S and a molecular weight of 440.91 g/mol. Its IUPAC name is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate.

Molecular Properties

Compound Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
PubChem CID5191092
Molecular FormulaC22H17ClN2O4S
Molecular Weight440.91 g/mol
Exact Mass440.06
IUPAC Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
SMILESO=C1CN(C(=O)COC(=O)CSc2cccc3cccc(Cl)c23)c2ccccc2N1
InChIInChI=1S/C22H17ClN2O4S/c23-15-7-3-5-14-6-4-10-18(22(14)15)30-13-21(28)29-12-20(27)25-11-19(26)24-16-8-1-2-9-17(16)25/h1-10H,11-13H2,(H,24,26)
InChIKeyMLKADSQFSGOCSV-UHFFFAOYSA-N
XLogP4.11
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.91
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate with MolForge

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Related Compounds

[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(3-chlorophenoxy)acetate
CID 7803707
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(4-methoxyphenoxy)acetate
CID 2438205
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 55926912
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(4-fluorophenyl)acetate
CID 7758909
4-[2-(2-bromophenyl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one
CID 27087539
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-nitrophenyl)acetate
CID 7832899
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-methoxyphenoxy)acetate
CID 7854017
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(4-phenylphenoxy)acetate
CID 9140470
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727363
[2-(cyclopropylamino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
CID 3508705
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 2634946
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(2,4-dioxopyrimidin-1-yl)acetate
CID 7632910

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate?
The IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate (CID 5191092) is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate.
What is the SMILES notation for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate?
The canonical SMILES for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate is O=C1CN(C(=O)COC(=O)CSc2cccc3cccc(Cl)c23)c2ccccc2N1.
What is the InChIKey of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate?
The InChIKey is MLKADSQFSGOCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O4S/c23-15-7-3-5-14-6-4-10-18(22(14)15)30-13-21(28)29-12-20(27)25-11-19(26)24-16-8-1-2-9-17(16)25/h1-10H,11-13H2,(H,24,26).
What are the key properties of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate?
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate has a molecular weight of 440.91 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate is sourced from PubChem (CID 5191092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).