[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate

C25H27N3O6S — CID 2432512

IUPAC[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
SMILESCCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1C
InChIInChI=1S/C25H27N3O6S/c1-3-21-17(2)24(20-6-4-5-7-22(20)27-21)25(30)34-16-23(29)26-18-8-10-19(11-9-18)35(31,32)28-12-14-33-15-13-28/h4-11H,3,12-16H2,1-2H3,(H,26,29)
InChIKeyKRNTWURUVJVEDI-UHFFFAOYSA-N
MW497.57 g/mol
LogP2.92
Rot. Bonds7

About [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate

[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate (PubChem CID 2432512) has the molecular formula C25H27N3O6S and a molecular weight of 497.57 g/mol. Its IUPAC name is [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
PubChem CID2432512
Molecular FormulaC25H27N3O6S
Molecular Weight497.57 g/mol
Exact Mass497.16
IUPAC Name[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
SMILESCCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1C
InChIInChI=1S/C25H27N3O6S/c1-3-21-17(2)24(20-6-4-5-7-22(20)27-21)25(30)34-16-23(29)26-18-8-10-19(11-9-18)35(31,32)28-12-14-33-15-13-28/h4-11H,3,12-16H2,1-2H3,(H,26,29)
InChIKeyKRNTWURUVJVEDI-UHFFFAOYSA-N
XLogP2.92
TPSA114.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.57
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate with MolForge

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Related Compounds

[2-(4-Ethoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2084031
[2-(Ethylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2089511
[2-(N-methylanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2417563
[2-Oxo-2-(propan-2-ylamino)ethyl] 2-methylquinoline-4-carboxylate
CID 2427239
[2-(Cyclopropylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 3652497
[2-(Cyclopropylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 5028859
(2s)-1-Oxo-1-[(4-Sulfamoylphenyl)amino]propan-2-Yl (2s)-2-Methyl-1,2,3,4-Tetrahydroacridine-9-Carboxylate
CID 2307617
2-Oxo-2-[(4-Sulfamoylphenyl)amino]ethyl 7,8,9,10-Tetrahydro-6h-Cyclohepta[b]quinoline-11-Carboxylate
CID 4592055
[2-Oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-methylquinoline-4-carboxylate
CID 2080193
[2-Oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl] 2-methylquinoline-4-carboxylate
CID 2084851
[2-(Tert-butylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2417704
[2-(Butylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2428425

Frequently Asked Questions

What is the IUPAC name of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate?
The IUPAC name of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate (CID 2432512) is [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate.
What is the SMILES notation for [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate?
The canonical SMILES for [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate is CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1C.
What is the InChIKey of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate?
The InChIKey is KRNTWURUVJVEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O6S/c1-3-21-17(2)24(20-6-4-5-7-22(20)27-21)25(30)34-16-23(29)26-18-8-10-19(11-9-18)35(31,32)28-12-14-33-15-13-28/h4-11H,3,12-16H2,1-2H3,(H,26,29).
What are the key properties of [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate?
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate has a molecular weight of 497.57 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate is sourced from PubChem (CID 2432512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).