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

C24H18N6O3 — CID 164624152

IUPAC4-[[2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetyl]amino]-N-phenylbenzamide
SMILESO=C(Cn1c(=O)c2nncn2c2ccccc21)Nc1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C24H18N6O3/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/h1-13,15H,14H2,(H,26,31)(H,27,32)
InChIKeyWQRWTLHMUPOEAN-UHFFFAOYSA-N
MW438.45 g/mol
LogP2.94
Rot. Bonds5

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

4-[[2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetyl]amino]-N-phenylbenzamide (PubChem CID 164624152) has the molecular formula C24H18N6O3 and a molecular weight of 438.45 g/mol. Its IUPAC name is 4-[[2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[[2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetyl]amino]-N-phenylbenzamide
PubChem CID164624152
Molecular FormulaC24H18N6O3
Molecular Weight438.45 g/mol
Exact Mass438.14
IUPAC Name4-[[2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetyl]amino]-N-phenylbenzamide
SMILESO=C(Cn1c(=O)c2nncn2c2ccccc21)Nc1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C24H18N6O3/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/h1-13,15H,14H2,(H,26,31)(H,27,32)
InChIKeyWQRWTLHMUPOEAN-UHFFFAOYSA-N
XLogP2.94
TPSA110.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetyl]amino]-N-phenylbenzamide?
The IUPAC name of 4-[[2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetyl]amino]-N-phenylbenzamide (CID 164624152) is 4-[[2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetyl]amino]-N-phenylbenzamide.
What is the SMILES notation for 4-[[2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetyl]amino]-N-phenylbenzamide?
The canonical SMILES for 4-[[2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetyl]amino]-N-phenylbenzamide is O=C(Cn1c(=O)c2nncn2c2ccccc21)Nc1ccc(C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 4-[[2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetyl]amino]-N-phenylbenzamide?
The InChIKey is WQRWTLHMUPOEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6O3/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/h1-13,15H,14H2,(H,26,31)(H,27,32).
What are the key properties of 4-[[2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetyl]amino]-N-phenylbenzamide?
4-[[2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetyl]amino]-N-phenylbenzamide has a molecular weight of 438.45 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 164624152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).