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

C21H19BrN6O3 — CID 50787724

IUPACN-(4-bromophenyl)-2-(4-morpholin-4-yl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
SMILESO=C(Cn1nc2c(N3CCOCC3)nc3ccccc3n2c1=O)Nc1ccc(Br)cc1
InChIInChI=1S/C21H19BrN6O3/c22-14-5-7-15(8-6-14)23-18(29)13-27-21(30)28-17-4-2-1-3-16(17)24-19(20(28)25-27)26-9-11-31-12-10-26/h1-8H,9-13H2,(H,23,29)
InChIKeyJGUZPZRNXTUFJI-UHFFFAOYSA-N
MW483.33 g/mol
LogP2.28
Rot. Bonds4

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

N-(4-bromophenyl)-2-(4-morpholin-4-yl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide (PubChem CID 50787724) has the molecular formula C21H19BrN6O3 and a molecular weight of 483.33 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(4-morpholin-4-yl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(4-morpholin-4-yl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
PubChem CID50787724
Molecular FormulaC21H19BrN6O3
Molecular Weight483.33 g/mol
Exact Mass482.07
IUPAC NameN-(4-bromophenyl)-2-(4-morpholin-4-yl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
SMILESO=C(Cn1nc2c(N3CCOCC3)nc3ccccc3n2c1=O)Nc1ccc(Br)cc1
InChIInChI=1S/C21H19BrN6O3/c22-14-5-7-15(8-6-14)23-18(29)13-27-21(30)28-17-4-2-1-3-16(17)24-19(20(28)25-27)26-9-11-31-12-10-26/h1-8H,9-13H2,(H,23,29)
InChIKeyJGUZPZRNXTUFJI-UHFFFAOYSA-N
XLogP2.28
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.33
LogP ≤ 52.28
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
2-(4-morpholin-4-yl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)-N-(2-phenylethyl)acetamide
CID 50787727
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 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-(4-bromophenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
CID 53137056
N-(3-chlorophenyl)-2-(1-oxo-4-thiomorpholin-4-yl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
CID 50787789
ethyl 1-[2-[2-(4-cyanoanilino)-2-oxoethyl]-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]piperidine-4-carboxylate
CID 50787675
N-(2-ethoxyphenyl)-2-(1-oxo-4-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
CID 50787693
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-(4-acetylphenyl)-2-[4-(dimethylamino)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide
CID 50787740
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-(4-acetamidophenyl)-2-[4-(4-methylphenoxy)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide
CID 53028465

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(4-morpholin-4-yl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(4-morpholin-4-yl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide (CID 50787724) is N-(4-bromophenyl)-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-(4-bromophenyl)-2-(4-morpholin-4-yl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(4-morpholin-4-yl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide is O=C(Cn1nc2c(N3CCOCC3)nc3ccccc3n2c1=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(4-morpholin-4-yl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide?
The InChIKey is JGUZPZRNXTUFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN6O3/c22-14-5-7-15(8-6-14)23-18(29)13-27-21(30)28-17-4-2-1-3-16(17)24-19(20(28)25-27)26-9-11-31-12-10-26/h1-8H,9-13H2,(H,23,29).
What are the key properties of N-(4-bromophenyl)-2-(4-morpholin-4-yl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide?
N-(4-bromophenyl)-2-(4-morpholin-4-yl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide has a molecular weight of 483.33 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(4-morpholin-4-yl-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide is sourced from PubChem (CID 50787724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).