[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate

C23H23N3O7S — CID 3580644

IUPAC[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C23H23N3O7S/c1-15-6-7-16(34(30,31)26-8-10-32-11-9-26)12-20(15)25-22(28)14-33-23(29)18-13-21(27)24-19-5-3-2-4-17(18)19/h2-7,12-13H,8-11,14H2,1H3,(H,24,27)(H,25,28)
InChIKeyASTOSJJFIPNEAX-UHFFFAOYSA-N
MW485.52 g/mol
LogP1.65
Rot. Bonds6

About [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate

[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate (PubChem CID 3580644) has the molecular formula C23H23N3O7S and a molecular weight of 485.52 g/mol. Its IUPAC name is [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
PubChem CID3580644
Molecular FormulaC23H23N3O7S
Molecular Weight485.52 g/mol
Exact Mass485.13
IUPAC Name[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C23H23N3O7S/c1-15-6-7-16(34(30,31)26-8-10-32-11-9-26)12-20(15)25-22(28)14-33-23(29)18-13-21(27)24-19-5-3-2-4-17(18)19/h2-7,12-13H,8-11,14H2,1H3,(H,24,27)(H,25,28)
InChIKeyASTOSJJFIPNEAX-UHFFFAOYSA-N
XLogP1.65
TPSA134.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.52
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate with MolForge

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Related Compounds

[2-oxo-2-(2-phenylethylamino)ethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2358098
[2-(2-Methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 3992685
[2-(2-Methyl-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-acetamido-3-phenylpropanoate
CID 4025310
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 6107805
(2-Morpholin-4-yl-2-oxoethyl) 4-[methyl(phenyl)sulfamoyl]benzoate
CID 2092477
[2-Oxo-2-(4-piperidin-1-ylanilino)ethyl] 3-(methylsulfamoyl)benzoate
CID 2129018
[2-(2,6-diethylanilino)-2-oxoethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate
CID 2332636
[2-(4-carbamoylanilino)-2-oxoethyl] (E)-3-[4-(diethylsulfamoyl)phenyl]prop-2-enoate
CID 2378597
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate
CID 2402288
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 4-(phenylsulfamoyl)benzoate
CID 2427626
[2-(3-Fluoro-4-methylanilino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 2433423
(2-amino-2-oxoethyl) 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 2485036

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate (CID 3580644) is [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is ASTOSJJFIPNEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O7S/c1-15-6-7-16(34(30,31)26-8-10-32-11-9-26)12-20(15)25-22(28)14-33-23(29)18-13-21(27)24-19-5-3-2-4-17(18)19/h2-7,12-13H,8-11,14H2,1H3,(H,24,27)(H,25,28).
What are the key properties of [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate?
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 485.52 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 3580644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).