[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-quinolin-2-ylpropanoate

C24H25N3O6S — CID 43026610

IUPAC[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-quinolin-2-ylpropanoate
SMILESO=C(COC(=O)CCc1ccc2ccccc2n1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C24H25N3O6S/c28-23(17-33-24(29)11-10-19-9-8-18-4-1-2-7-22(18)25-19)26-20-5-3-6-21(16-20)34(30,31)27-12-14-32-15-13-27/h1-9,16H,10-15,17H2,(H,26,28)
InChIKeyNXDRPPCNDWCDIJ-UHFFFAOYSA-N
MW483.55 g/mol
LogP2.37
Rot. Bonds8

About [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-quinolin-2-ylpropanoate

[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-quinolin-2-ylpropanoate (PubChem CID 43026610) has the molecular formula C24H25N3O6S and a molecular weight of 483.55 g/mol. Its IUPAC name is [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-quinolin-2-ylpropanoate.

Molecular Properties

Compound Name[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-quinolin-2-ylpropanoate
PubChem CID43026610
Molecular FormulaC24H25N3O6S
Molecular Weight483.55 g/mol
Exact Mass483.15
IUPAC Name[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-quinolin-2-ylpropanoate
SMILESO=C(COC(=O)CCc1ccc2ccccc2n1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C24H25N3O6S/c28-23(17-33-24(29)11-10-19-9-8-18-4-1-2-7-22(18)25-19)26-20-5-3-6-21(16-20)34(30,31)27-12-14-32-15-13-27/h1-9,16H,10-15,17H2,(H,26,28)
InChIKeyNXDRPPCNDWCDIJ-UHFFFAOYSA-N
XLogP2.37
TPSA114.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3-morpholin-4-ylsulfonylphenyl)methyl 3-quinolin-2-ylpropanoate
CID 31647896
N-(3-morpholin-4-ylsulfonylphenyl)-2-naphthalen-2-yloxyacetamide
CID 17070441
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 3569637
[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-phenylpropanoate
CID 7654688
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-methylbenzoate
CID 4853968
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 4663146
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate
CID 2087430
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46605012
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate
CID 16519439
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 4854118
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-methylfuran-2-carboxylate
CID 4854297
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 5244664

Frequently Asked Questions

What is the IUPAC name of [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-quinolin-2-ylpropanoate?
The IUPAC name of [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-quinolin-2-ylpropanoate (CID 43026610) is [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-quinolin-2-ylpropanoate.
What is the SMILES notation for [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-quinolin-2-ylpropanoate?
The canonical SMILES for [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-quinolin-2-ylpropanoate is O=C(COC(=O)CCc1ccc2ccccc2n1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-quinolin-2-ylpropanoate?
The InChIKey is NXDRPPCNDWCDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O6S/c28-23(17-33-24(29)11-10-19-9-8-18-4-1-2-7-22(18)25-19)26-20-5-3-6-21(16-20)34(30,31)27-12-14-32-15-13-27/h1-9,16H,10-15,17H2,(H,26,28).
What are the key properties of [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-quinolin-2-ylpropanoate?
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-quinolin-2-ylpropanoate has a molecular weight of 483.55 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-quinolin-2-ylpropanoate is sourced from PubChem (CID 43026610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).