3-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-quinoxalin-2-one

C14H15N3O3S — CID 4251059

IUPAC3-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-quinoxalin-2-one
SMILESO=C(CSc1nc2ccccc2[nH]c1=O)N1CCOCC1
InChIInChI=1S/C14H15N3O3S/c18-12(17-5-7-20-8-6-17)9-21-14-13(19)15-10-3-1-2-4-11(10)16-14/h1-4H,5-9H2,(H,15,19)
InChIKeyYPKPEKKKQXMUMQ-UHFFFAOYSA-N
MW305.36 g/mol
LogP0.87
Rot. Bonds3

About 3-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-quinoxalin-2-one

3-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-quinoxalin-2-one (PubChem CID 4251059) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 3-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-quinoxalin-2-one
PubChem CID4251059
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name3-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-quinoxalin-2-one
SMILESO=C(CSc1nc2ccccc2[nH]c1=O)N1CCOCC1
InChIInChI=1S/C14H15N3O3S/c18-12(17-5-7-20-8-6-17)9-21-14-13(19)15-10-3-1-2-4-11(10)16-14/h1-4H,5-9H2,(H,15,19)
InChIKeyYPKPEKKKQXMUMQ-UHFFFAOYSA-N
XLogP0.87
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(morpholin-4-yl)phenyl]acetamide
CID 826558
2-(4-fluorophenyl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
CID 847698
2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-phenylacetamide
CID 535662
3-Morpholin-4-yl-quinoxalin-2-ol
CID 2388925
N-(2,4-difluorophenyl)-2-((1-(2-morpholinoethyl)-2-oxo-1,2,5,6,7,8-hexahydroquinazolin-4-yl)thio)acetamide
CID 18578707
2-(2,4-Dioxo-thiazolidin-3-yl)-N-(2-morpholin-4-yl-phenyl)-acetamide
CID 653843
N-(2-morpholin-4-ylphenyl)-2-phenylsulfanylacetamide
CID 2091613
N-(2-morpholin-4-ylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 16606832
2-(4-acetamidophenyl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
CID 2490997
2-((1-(2-morpholinoethyl)-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)-N-phenylacetamide
CID 7385483
N-(4-morpholin-4-ylphenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9329152
3-(Morpholin-4-ylthioxomethyl)quinoxalin-2-ol
CID 729493

Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-quinoxalin-2-one?
The IUPAC name of 3-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-quinoxalin-2-one (CID 4251059) is 3-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-quinoxalin-2-one.
What is the SMILES notation for 3-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-quinoxalin-2-one?
The canonical SMILES for 3-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-quinoxalin-2-one is O=C(CSc1nc2ccccc2[nH]c1=O)N1CCOCC1.
What is the InChIKey of 3-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-quinoxalin-2-one?
The InChIKey is YPKPEKKKQXMUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c18-12(17-5-7-20-8-6-17)9-21-14-13(19)15-10-3-1-2-4-11(10)16-14/h1-4H,5-9H2,(H,15,19).
What are the key properties of 3-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-quinoxalin-2-one?
3-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-quinoxalin-2-one has a molecular weight of 305.36 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-quinoxalin-2-one is sourced from PubChem (CID 4251059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).