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

C23H24N6O3 — CID 50787693

IUPACN-(2-ethoxyphenyl)-2-(1-oxo-4-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
SMILESCCOc1ccccc1NC(=O)Cn1nc2c(N3CCCC3)nc3ccccc3n2c1=O
InChIInChI=1S/C23H24N6O3/c1-2-32-19-12-6-4-10-17(19)24-20(30)15-28-23(31)29-18-11-5-3-9-16(18)25-21(22(29)26-28)27-13-7-8-14-27/h3-6,9-12H,2,7-8,13-15H2,1H3,(H,24,30)
InChIKeyUIVHVOCIPIFITG-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.68
Rot. Bonds6

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

N-(2-ethoxyphenyl)-2-(1-oxo-4-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide (PubChem CID 50787693) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(1-oxo-4-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(1-oxo-4-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
PubChem CID50787693
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC NameN-(2-ethoxyphenyl)-2-(1-oxo-4-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
SMILESCCOc1ccccc1NC(=O)Cn1nc2c(N3CCCC3)nc3ccccc3n2c1=O
InChIInChI=1S/C23H24N6O3/c1-2-32-19-12-6-4-10-17(19)24-20(30)15-28-23(31)29-18-11-5-3-9-16(18)25-21(22(29)26-28)27-13-7-8-14-27/h3-6,9-12H,2,7-8,13-15H2,1H3,(H,24,30)
InChIKeyUIVHVOCIPIFITG-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-ethoxyphenyl)-2-(4-morpholin-4-yl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
CID 50787725
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-(2,5-dimethoxyphenyl)-2-(1-oxo-4-thiomorpholin-4-yl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
CID 50787712
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
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-(4-bromophenyl)-2-(4-morpholin-4-yl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
CID 50787724
N-(3,4-dimethylphenyl)-2-(1-oxo-4-thiomorpholin-4-yl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
CID 50787739
N-(3-chlorophenyl)-2-(1-oxo-4-thiomorpholin-4-yl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
CID 50787789
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-methylphenyl)-2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
CID 53028534
2-[4-(3,5-dimethylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]-N-(4-ethoxyphenyl)acetamide
CID 45498370
2-[4-(2,3-dimethylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]-N-(2,4-dimethylphenyl)acetamide
CID 53028604

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-(1-oxo-4-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(1-oxo-4-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide (CID 50787693) is N-(2-ethoxyphenyl)-2-(1-oxo-4-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(1-oxo-4-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(1-oxo-4-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide is CCOc1ccccc1NC(=O)Cn1nc2c(N3CCCC3)nc3ccccc3n2c1=O.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(1-oxo-4-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide?
The InChIKey is UIVHVOCIPIFITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-2-32-19-12-6-4-10-17(19)24-20(30)15-28-23(31)29-18-11-5-3-9-16(18)25-21(22(29)26-28)27-13-7-8-14-27/h3-6,9-12H,2,7-8,13-15H2,1H3,(H,24,30).
What are the key properties of N-(2-ethoxyphenyl)-2-(1-oxo-4-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide?
N-(2-ethoxyphenyl)-2-(1-oxo-4-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide has a molecular weight of 432.48 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-(1-oxo-4-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide is sourced from PubChem (CID 50787693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).