2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide

C24H28N4O3S — CID 22332562

IUPAC2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CSc2nc3ccccc3nc2N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C24H28N4O3S/c1-4-30-19-11-9-18(10-12-19)25-22(29)15-32-24-23(28-13-16(2)31-17(3)14-28)26-20-7-5-6-8-21(20)27-24/h5-12,16-17H,4,13-15H2,1-3H3,(H,25,29)
InChIKeyAJZFMGQYVOSHPJ-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.37
Rot. Bonds7

About 2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide

2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide (PubChem CID 22332562) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is 2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
PubChem CID22332562
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC Name2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CSc2nc3ccccc3nc2N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C24H28N4O3S/c1-4-30-19-11-9-18(10-12-19)25-22(29)15-32-24-23(28-13-16(2)31-17(3)14-28)26-20-7-5-6-8-21(20)27-24/h5-12,16-17H,4,13-15H2,1-3H3,(H,25,29)
InChIKeyAJZFMGQYVOSHPJ-UHFFFAOYSA-N
XLogP4.37
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide (CID 22332562) is 2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CSc2nc3ccccc3nc2N2CC(C)OC(C)C2)cc1.
What is the InChIKey of 2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide?
The InChIKey is AJZFMGQYVOSHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-4-30-19-11-9-18(10-12-19)25-22(29)15-32-24-23(28-13-16(2)31-17(3)14-28)26-20-7-5-6-8-21(20)27-24/h5-12,16-17H,4,13-15H2,1-3H3,(H,25,29).
What are the key properties of 2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide?
2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide has a molecular weight of 452.58 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 22332562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).