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

C24H19N5O3 — CID 53028534

IUPACN-(2-methylphenyl)-2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
SMILESCc1ccccc1NC(=O)Cn1nc2c(Oc3ccccc3)nc3ccccc3n2c1=O
InChIInChI=1S/C24H19N5O3/c1-16-9-5-6-12-18(16)25-21(30)15-28-24(31)29-20-14-8-7-13-19(20)26-23(22(29)27-28)32-17-10-3-2-4-11-17/h2-14H,15H2,1H3,(H,25,30)
InChIKeyOTTKQXSLMPODMW-UHFFFAOYSA-N
MW425.45 g/mol
LogP3.78
Rot. Bonds5

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

N-(2-methylphenyl)-2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide (PubChem CID 53028534) has the molecular formula C24H19N5O3 and a molecular weight of 425.45 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
PubChem CID53028534
Molecular FormulaC24H19N5O3
Molecular Weight425.45 g/mol
Exact Mass425.15
IUPAC NameN-(2-methylphenyl)-2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
SMILESCc1ccccc1NC(=O)Cn1nc2c(Oc3ccccc3)nc3ccccc3n2c1=O
InChIInChI=1S/C24H19N5O3/c1-16-9-5-6-12-18(16)25-21(30)15-28-24(31)29-20-14-8-7-13-19(20)26-23(22(29)27-28)32-17-10-3-2-4-11-17/h2-14H,15H2,1H3,(H,25,30)
InChIKeyOTTKQXSLMPODMW-UHFFFAOYSA-N
XLogP3.78
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide?
The IUPAC name of N-(2-methylphenyl)-2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide (CID 53028534) is N-(2-methylphenyl)-2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide is Cc1ccccc1NC(=O)Cn1nc2c(Oc3ccccc3)nc3ccccc3n2c1=O.
What is the InChIKey of N-(2-methylphenyl)-2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide?
The InChIKey is OTTKQXSLMPODMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O3/c1-16-9-5-6-12-18(16)25-21(30)15-28-24(31)29-20-14-8-7-13-19(20)26-23(22(29)27-28)32-17-10-3-2-4-11-17/h2-14H,15H2,1H3,(H,25,30).
What are the key properties of N-(2-methylphenyl)-2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide?
N-(2-methylphenyl)-2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide has a molecular weight of 425.45 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide is sourced from PubChem (CID 53028534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).