[2-(4-methylsulfonylanilino)-2-oxoethyl] quinoline-8-carboxylate

C19H16N2O5S — CID 71900631

IUPAC[2-(4-methylsulfonylanilino)-2-oxoethyl] quinoline-8-carboxylate
SMILESCS(=O)(=O)c1ccc(NC(=O)COC(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C19H16N2O5S/c1-27(24,25)15-9-7-14(8-10-15)21-17(22)12-26-19(23)16-6-2-4-13-5-3-11-20-18(13)16/h2-11H,12H2,1H3,(H,21,22)
InChIKeyDYHHTIQYAMAQQI-UHFFFAOYSA-N
MW384.41 g/mol
LogP2.43
Rot. Bonds5

About [2-(4-methylsulfonylanilino)-2-oxoethyl] quinoline-8-carboxylate

[2-(4-methylsulfonylanilino)-2-oxoethyl] quinoline-8-carboxylate (PubChem CID 71900631) has the molecular formula C19H16N2O5S and a molecular weight of 384.41 g/mol. Its IUPAC name is [2-(4-methylsulfonylanilino)-2-oxoethyl] quinoline-8-carboxylate.

Molecular Properties

Compound Name[2-(4-methylsulfonylanilino)-2-oxoethyl] quinoline-8-carboxylate
PubChem CID71900631
Molecular FormulaC19H16N2O5S
Molecular Weight384.41 g/mol
Exact Mass384.08
IUPAC Name[2-(4-methylsulfonylanilino)-2-oxoethyl] quinoline-8-carboxylate
SMILESCS(=O)(=O)c1ccc(NC(=O)COC(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C19H16N2O5S/c1-27(24,25)15-9-7-14(8-10-15)21-17(22)12-26-19(23)16-6-2-4-13-5-3-11-20-18(13)16/h2-11H,12H2,1H3,(H,21,22)
InChIKeyDYHHTIQYAMAQQI-UHFFFAOYSA-N
XLogP2.43
TPSA102.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[4-(acetylsulfamoyl)anilino]-2-oxoethyl] quinoxaline-5-carboxylate
CID 25039801
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-ethoxypyridine-3-carboxylate
CID 2497740
(2-ethoxy-2-oxoethyl) quinoline-8-carboxylate
CID 156784180
[2-(4-methoxyanilino)-2-oxoethyl] 4-methylsulfonylbenzoate
CID 2670499
[2-(4-methylsulfonylanilino)-2-oxoethyl] 2,4-dichlorobenzoate
CID 41174699
[2-(4-acetamidoanilino)-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate
CID 7849964
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] (E)-3-quinolin-8-ylprop-2-enoate
CID 16607710
2-(2,6-dimethylphenoxy)-N-(4-methylsulfonylphenyl)acetamide
CID 26239214
methyl 4-[(2-quinolin-8-yloxyacetyl)amino]benzoate
CID 26217849
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4-methylsulfonylbenzoate
CID 16514566
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 4-methylsulfonylbenzoate
CID 7752504
[2-(4-methoxyanilino)-2-oxoethyl] 3-methylsulfonylbenzoate
CID 2528834

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylsulfonylanilino)-2-oxoethyl] quinoline-8-carboxylate?
The IUPAC name of [2-(4-methylsulfonylanilino)-2-oxoethyl] quinoline-8-carboxylate (CID 71900631) is [2-(4-methylsulfonylanilino)-2-oxoethyl] quinoline-8-carboxylate.
What is the SMILES notation for [2-(4-methylsulfonylanilino)-2-oxoethyl] quinoline-8-carboxylate?
The canonical SMILES for [2-(4-methylsulfonylanilino)-2-oxoethyl] quinoline-8-carboxylate is CS(=O)(=O)c1ccc(NC(=O)COC(=O)c2cccc3cccnc23)cc1.
What is the InChIKey of [2-(4-methylsulfonylanilino)-2-oxoethyl] quinoline-8-carboxylate?
The InChIKey is DYHHTIQYAMAQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5S/c1-27(24,25)15-9-7-14(8-10-15)21-17(22)12-26-19(23)16-6-2-4-13-5-3-11-20-18(13)16/h2-11H,12H2,1H3,(H,21,22).
What are the key properties of [2-(4-methylsulfonylanilino)-2-oxoethyl] quinoline-8-carboxylate?
[2-(4-methylsulfonylanilino)-2-oxoethyl] quinoline-8-carboxylate has a molecular weight of 384.41 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylsulfonylanilino)-2-oxoethyl] quinoline-8-carboxylate is sourced from PubChem (CID 71900631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).