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

C23H24N6O4 — CID 50787725

IUPACN-(2-ethoxyphenyl)-2-(4-morpholin-4-yl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
SMILESCCOc1ccccc1NC(=O)Cn1nc2c(N3CCOCC3)nc3ccccc3n2c1=O
InChIInChI=1S/C23H24N6O4/c1-2-33-19-10-6-4-8-17(19)24-20(30)15-28-23(31)29-18-9-5-3-7-16(18)25-21(22(29)26-28)27-11-13-32-14-12-27/h3-10H,2,11-15H2,1H3,(H,24,30)
InChIKeyUOGRFPKRHZUWOI-UHFFFAOYSA-N
MW448.48 g/mol
LogP1.92
Rot. Bonds6

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

N-(2-ethoxyphenyl)-2-(4-morpholin-4-yl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide (PubChem CID 50787725) has the molecular formula C23H24N6O4 and a molecular weight of 448.48 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(4-morpholin-4-yl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(4-morpholin-4-yl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
PubChem CID50787725
Molecular FormulaC23H24N6O4
Molecular Weight448.48 g/mol
Exact Mass448.19
IUPAC NameN-(2-ethoxyphenyl)-2-(4-morpholin-4-yl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
SMILESCCOc1ccccc1NC(=O)Cn1nc2c(N3CCOCC3)nc3ccccc3n2c1=O
InChIInChI=1S/C23H24N6O4/c1-2-33-19-10-6-4-8-17(19)24-20(30)15-28-23(31)29-18-9-5-3-7-16(18)25-21(22(29)26-28)27-11-13-32-14-12-27/h3-10H,2,11-15H2,1H3,(H,24,30)
InChIKeyUOGRFPKRHZUWOI-UHFFFAOYSA-N
XLogP1.92
TPSA102.99 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(2-ethoxyphenyl)-2-(1-oxo-4-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
CID 50787693
N-(4-bromophenyl)-2-(4-morpholin-4-yl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
CID 50787724
2-(4-morpholin-4-yl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)-N-(2-phenylethyl)acetamide
CID 50787727
N-(2,5-dimethoxyphenyl)-2-(1-oxo-4-thiomorpholin-4-yl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
CID 50787712
N-(2-ethoxyphenyl)-2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 53196400
ethyl 1-[2-[2-(4-methylanilino)-2-oxoethyl]-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]piperidine-4-carboxylate
CID 45499343
N-(2-ethoxyphenyl)-2-(3-morpholin-4-yl-4-phenylpyrazol-1-yl)acetamide
CID 52905906
ethyl 1-[2-[2-(3-methylanilino)-2-oxoethyl]-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]piperidine-4-carboxylate
CID 45499342
N-(3,4-dimethylphenyl)-2-(1-oxo-4-thiomorpholin-4-yl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
CID 50787739
ethyl 2-[[2-(8-morpholin-4-yl-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetyl]amino]benzoate
CID 53142430
ethyl 1-[2-[2-(benzylamino)-2-oxoethyl]-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]piperidine-4-carboxylate
CID 50787715
N-(2-ethoxyphenyl)-4-morpholin-4-yl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42666196

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-(4-morpholin-4-yl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(4-morpholin-4-yl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide (CID 50787725) is N-(2-ethoxyphenyl)-2-(4-morpholin-4-yl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(4-morpholin-4-yl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(4-morpholin-4-yl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide is CCOc1ccccc1NC(=O)Cn1nc2c(N3CCOCC3)nc3ccccc3n2c1=O.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(4-morpholin-4-yl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide?
The InChIKey is UOGRFPKRHZUWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O4/c1-2-33-19-10-6-4-8-17(19)24-20(30)15-28-23(31)29-18-9-5-3-7-16(18)25-21(22(29)26-28)27-11-13-32-14-12-27/h3-10H,2,11-15H2,1H3,(H,24,30).
What are the key properties of N-(2-ethoxyphenyl)-2-(4-morpholin-4-yl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide?
N-(2-ethoxyphenyl)-2-(4-morpholin-4-yl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide has a molecular weight of 448.48 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-(4-morpholin-4-yl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide is sourced from PubChem (CID 50787725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).