N-cyclohexyl-4-[[2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetyl]amino]benzamide

C24H24N6O3 — CID 164608849

IUPACN-cyclohexyl-4-[[2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetyl]amino]benzamide
SMILESO=C(Cn1c(=O)c2nncn2c2ccccc21)Nc1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C24H24N6O3/c31-21(14-29-19-8-4-5-9-20(19)30-15-25-28-22(30)24(29)33)26-18-12-10-16(11-13-18)23(32)27-17-6-2-1-3-7-17/h4-5,8-13,15,17H,1-3,6-7,14H2,(H,26,31)(H,27,32)
InChIKeyWKRALYDZPBLQOG-UHFFFAOYSA-N
MW444.50 g/mol
LogP2.75
Rot. Bonds5

About N-cyclohexyl-4-[[2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetyl]amino]benzamide

N-cyclohexyl-4-[[2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetyl]amino]benzamide (PubChem CID 164608849) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is N-cyclohexyl-4-[[2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[[2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetyl]amino]benzamide
PubChem CID164608849
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC NameN-cyclohexyl-4-[[2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetyl]amino]benzamide
SMILESO=C(Cn1c(=O)c2nncn2c2ccccc21)Nc1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C24H24N6O3/c31-21(14-29-19-8-4-5-9-20(19)30-15-25-28-22(30)24(29)33)26-18-12-10-16(11-13-18)23(32)27-17-6-2-1-3-7-17/h4-5,8-13,15,17H,1-3,6-7,14H2,(H,26,31)(H,27,32)
InChIKeyWKRALYDZPBLQOG-UHFFFAOYSA-N
XLogP2.75
TPSA110.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[[2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetyl]amino]benzamide?
The IUPAC name of N-cyclohexyl-4-[[2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetyl]amino]benzamide (CID 164608849) is N-cyclohexyl-4-[[2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-cyclohexyl-4-[[2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetyl]amino]benzamide?
The canonical SMILES for N-cyclohexyl-4-[[2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetyl]amino]benzamide is O=C(Cn1c(=O)c2nncn2c2ccccc21)Nc1ccc(C(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-4-[[2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetyl]amino]benzamide?
The InChIKey is WKRALYDZPBLQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c31-21(14-29-19-8-4-5-9-20(19)30-15-25-28-22(30)24(29)33)26-18-12-10-16(11-13-18)23(32)27-17-6-2-1-3-7-17/h4-5,8-13,15,17H,1-3,6-7,14H2,(H,26,31)(H,27,32).
What are the key properties of N-cyclohexyl-4-[[2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetyl]amino]benzamide?
N-cyclohexyl-4-[[2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetyl]amino]benzamide has a molecular weight of 444.50 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[[2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetyl]amino]benzamide is sourced from PubChem (CID 164608849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).