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

C28H25N3O6S — CID 4663146

IUPAC[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylquinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc12)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C28H25N3O6S/c32-27(29-21-9-6-10-22(17-21)38(34,35)31-13-15-36-16-14-31)19-37-28(33)24-18-26(20-7-2-1-3-8-20)30-25-12-5-4-11-23(24)25/h1-12,17-18H,13-16,19H2,(H,29,32)
InChIKeyXHSYTYYCGBKKJU-UHFFFAOYSA-N
MW531.59 g/mol
LogP3.72
Rot. Bonds7

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

[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylquinoline-4-carboxylate (PubChem CID 4663146) has the molecular formula C28H25N3O6S and a molecular weight of 531.59 g/mol. Its IUPAC name is [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylquinoline-4-carboxylate
PubChem CID4663146
Molecular FormulaC28H25N3O6S
Molecular Weight531.59 g/mol
Exact Mass531.15
IUPAC Name[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylquinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc12)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C28H25N3O6S/c32-27(29-21-9-6-10-22(17-21)38(34,35)31-13-15-36-16-14-31)19-37-28(33)24-18-26(20-7-2-1-3-8-20)30-25-12-5-4-11-23(24)25/h1-12,17-18H,13-16,19H2,(H,29,32)
InChIKeyXHSYTYYCGBKKJU-UHFFFAOYSA-N
XLogP3.72
TPSA114.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.59
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate
CID 23734279
[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate
CID 23905521
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 2358673
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 16539935
[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2-(2,3,4-trichlorophenyl)quinoline-4-carboxylate
CID 4097494
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-methylbenzoate
CID 4853968
[(2R)-1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2-pyridin-3-ylquinoline-4-carboxylate
CID 98393913
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 55315344
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 16528751
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-quinolin-2-ylpropanoate
CID 43026610
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 3569637
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-methylfuran-2-carboxylate
CID 4854297

Frequently Asked Questions

What is the IUPAC name of [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylquinoline-4-carboxylate?
The IUPAC name of [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylquinoline-4-carboxylate (CID 4663146) is [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylquinoline-4-carboxylate.
What is the SMILES notation for [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylquinoline-4-carboxylate?
The canonical SMILES for [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylquinoline-4-carboxylate is O=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc12)Nc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylquinoline-4-carboxylate?
The InChIKey is XHSYTYYCGBKKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O6S/c32-27(29-21-9-6-10-22(17-21)38(34,35)31-13-15-36-16-14-31)19-37-28(33)24-18-26(20-7-2-1-3-8-20)30-25-12-5-4-11-23(24)25/h1-12,17-18H,13-16,19H2,(H,29,32).
What are the key properties of [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylquinoline-4-carboxylate?
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylquinoline-4-carboxylate has a molecular weight of 531.59 g/mol, XLogP of 3.72, 7 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] 2-phenylquinoline-4-carboxylate is sourced from PubChem (CID 4663146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).