[1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate

C23H24N4O4S — CID 46794162

IUPAC[1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate
SMILESCC(OC(=O)CSc1cnc2ccccc2n1)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H24N4O4S/c1-16(23(29)25-17-6-8-18(9-7-17)27-10-12-30-13-11-27)31-22(28)15-32-21-14-24-19-4-2-3-5-20(19)26-21/h2-9,14,16H,10-13,15H2,1H3,(H,25,29)
InChIKeyZBGIQXHZDAGSNV-UHFFFAOYSA-N
MW452.54 g/mol
LogP3.13
Rot. Bonds7

About [1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate

[1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate (PubChem CID 46794162) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is [1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate.

Molecular Properties

Compound Name[1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate
PubChem CID46794162
Molecular FormulaC23H24N4O4S
Molecular Weight452.54 g/mol
Exact Mass452.15
IUPAC Name[1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate
SMILESCC(OC(=O)CSc1cnc2ccccc2n1)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H24N4O4S/c1-16(23(29)25-17-6-8-18(9-7-17)27-10-12-30-13-11-27)31-22(28)15-32-21-14-24-19-4-2-3-5-20(19)26-21/h2-9,14,16H,10-13,15H2,1H3,(H,25,29)
InChIKeyZBGIQXHZDAGSNV-UHFFFAOYSA-N
XLogP3.13
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze [1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(4-acetylanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate
CID 46794232
[1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate
CID 46794172
[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-quinoxalin-2-ylsulfanylacetate
CID 33485557
[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 8913367
[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenoxy)acetate
CID 7754339
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-quinoxalin-2-ylsulfanylacetate
CID 55322904
[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate
CID 46794119
N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]quinoxaline-2-carboxamide
CID 6723497
[1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-chlorobenzoate
CID 55318916
[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 41350999
[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 41350998
[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] pyrazine-2-carboxylate
CID 7259407

Frequently Asked Questions

What is the IUPAC name of [1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate?
The IUPAC name of [1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate (CID 46794162) is [1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate.
What is the SMILES notation for [1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate?
The canonical SMILES for [1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate is CC(OC(=O)CSc1cnc2ccccc2n1)C(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of [1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate?
The InChIKey is ZBGIQXHZDAGSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S/c1-16(23(29)25-17-6-8-18(9-7-17)27-10-12-30-13-11-27)31-22(28)15-32-21-14-24-19-4-2-3-5-20(19)26-21/h2-9,14,16H,10-13,15H2,1H3,(H,25,29).
What are the key properties of [1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate?
[1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate has a molecular weight of 452.54 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-quinoxalin-2-ylsulfanylacetate is sourced from PubChem (CID 46794162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).