2-(4-morpholin-4-yl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)-N-(2-phenylethyl)acetamide

C23H24N6O3 — CID 50787727

IUPAC2-(4-morpholin-4-yl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)-N-(2-phenylethyl)acetamide
SMILESO=C(Cn1nc2c(N3CCOCC3)nc3ccccc3n2c1=O)NCCc1ccccc1
InChIInChI=1S/C23H24N6O3/c30-20(24-11-10-17-6-2-1-3-7-17)16-28-23(31)29-19-9-5-4-8-18(19)25-21(22(29)26-28)27-12-14-32-15-13-27/h1-9H,10-16H2,(H,24,30)
InChIKeyYOCQBNZZYQJDFI-UHFFFAOYSA-N
MW432.48 g/mol
LogP1.24
Rot. Bonds6

About 2-(4-morpholin-4-yl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)-N-(2-phenylethyl)acetamide

2-(4-morpholin-4-yl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)-N-(2-phenylethyl)acetamide (PubChem CID 50787727) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is 2-(4-morpholin-4-yl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(4-morpholin-4-yl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)-N-(2-phenylethyl)acetamide
PubChem CID50787727
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Name2-(4-morpholin-4-yl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)-N-(2-phenylethyl)acetamide
SMILESO=C(Cn1nc2c(N3CCOCC3)nc3ccccc3n2c1=O)NCCc1ccccc1
InChIInChI=1S/C23H24N6O3/c30-20(24-11-10-17-6-2-1-3-7-17)16-28-23(31)29-19-9-5-4-8-18(19)25-21(22(29)26-28)27-12-14-32-15-13-27/h1-9H,10-16H2,(H,24,30)
InChIKeyYOCQBNZZYQJDFI-UHFFFAOYSA-N
XLogP1.24
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-yl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(4-morpholin-4-yl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)-N-(2-phenylethyl)acetamide (CID 50787727) is 2-(4-morpholin-4-yl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(4-morpholin-4-yl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(4-morpholin-4-yl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)-N-(2-phenylethyl)acetamide is O=C(Cn1nc2c(N3CCOCC3)nc3ccccc3n2c1=O)NCCc1ccccc1.
What is the InChIKey of 2-(4-morpholin-4-yl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is YOCQBNZZYQJDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c30-20(24-11-10-17-6-2-1-3-7-17)16-28-23(31)29-19-9-5-4-8-18(19)25-21(22(29)26-28)27-12-14-32-15-13-27/h1-9H,10-16H2,(H,24,30).
What are the key properties of 2-(4-morpholin-4-yl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)-N-(2-phenylethyl)acetamide?
2-(4-morpholin-4-yl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 432.48 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-yl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 50787727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).