[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate

C19H16ClN3O4S — CID 46794173

IUPAC[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate
SMILESCOc1ccc(Cl)cc1NC(=O)COC(=O)CSc1cnc2ccccc2n1
InChIInChI=1S/C19H16ClN3O4S/c1-26-16-7-6-12(20)8-15(16)22-17(24)10-27-19(25)11-28-18-9-21-13-4-2-3-5-14(13)23-18/h2-9H,10-11H2,1H3,(H,22,24)
InChIKeyOGLXBHGKDSIYHB-UHFFFAOYSA-N
MW417.87 g/mol
LogP3.57
Rot. Bonds7

About [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate

[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate (PubChem CID 46794173) has the molecular formula C19H16ClN3O4S and a molecular weight of 417.87 g/mol. Its IUPAC name is [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate.

Molecular Properties

Compound Name[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate
PubChem CID46794173
Molecular FormulaC19H16ClN3O4S
Molecular Weight417.87 g/mol
Exact Mass417.06
IUPAC Name[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate
SMILESCOc1ccc(Cl)cc1NC(=O)COC(=O)CSc1cnc2ccccc2n1
InChIInChI=1S/C19H16ClN3O4S/c1-26-16-7-6-12(20)8-15(16)22-17(24)10-27-19(25)11-28-18-9-21-13-4-2-3-5-14(13)23-18/h2-9H,10-11H2,1H3,(H,22,24)
InChIKeyOGLXBHGKDSIYHB-UHFFFAOYSA-N
XLogP3.57
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.87
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2-ethoxyanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate
CID 31867338
[2-(2-acetylanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate
CID 46794265
N-(5-chloro-2-methoxyphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7755341
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate
CID 31661543
[2-(methylcarbamoylamino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate
CID 32508024
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate
CID 7354922
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate
CID 2497046
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 2626869
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 7750443
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-oxopentanoate
CID 8627342
N-(5-chloro-2-methoxyphenyl)-2-(2-fluorophenoxy)acetamide
CID 2326605
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(4-hydroxyphenyl)acetate
CID 8671876

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate?
The IUPAC name of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate (CID 46794173) is [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate.
What is the SMILES notation for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate?
The canonical SMILES for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate is COc1ccc(Cl)cc1NC(=O)COC(=O)CSc1cnc2ccccc2n1.
What is the InChIKey of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate?
The InChIKey is OGLXBHGKDSIYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O4S/c1-26-16-7-6-12(20)8-15(16)22-17(24)10-27-19(25)11-28-18-9-21-13-4-2-3-5-14(13)23-18/h2-9H,10-11H2,1H3,(H,22,24).
What are the key properties of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate?
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate has a molecular weight of 417.87 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate is sourced from PubChem (CID 46794173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).