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

C18H16N6O3 — CID 57325783

IUPAC2-amino-N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]acetamide
SMILESCOc1ccc(-n2nc3c(NC(=O)CN)nc4ccccc4n3c2=O)cc1
InChIInChI=1S/C18H16N6O3/c1-27-12-8-6-11(7-9-12)24-18(26)23-14-5-3-2-4-13(14)20-16(17(23)22-24)21-15(25)10-19/h2-9H,10,19H2,1H3,(H,20,21,25)
InChIKeyFBVZEEMDUJPBCO-UHFFFAOYSA-N
MW364.37 g/mol
LogP0.94
Rot. Bonds4

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

2-amino-N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]acetamide (PubChem CID 57325783) has the molecular formula C18H16N6O3 and a molecular weight of 364.37 g/mol. Its IUPAC name is 2-amino-N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]acetamide
PubChem CID57325783
Molecular FormulaC18H16N6O3
Molecular Weight364.37 g/mol
Exact Mass364.13
IUPAC Name2-amino-N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]acetamide
SMILESCOc1ccc(-n2nc3c(NC(=O)CN)nc4ccccc4n3c2=O)cc1
InChIInChI=1S/C18H16N6O3/c1-27-12-8-6-11(7-9-12)24-18(26)23-14-5-3-2-4-13(14)20-16(17(23)22-24)21-15(25)10-19/h2-9H,10,19H2,1H3,(H,20,21,25)
InChIKeyFBVZEEMDUJPBCO-UHFFFAOYSA-N
XLogP0.94
TPSA116.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]acetamide?
The IUPAC name of 2-amino-N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]acetamide (CID 57325783) is 2-amino-N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]acetamide.
What is the SMILES notation for 2-amino-N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]acetamide?
The canonical SMILES for 2-amino-N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]acetamide is COc1ccc(-n2nc3c(NC(=O)CN)nc4ccccc4n3c2=O)cc1.
What is the InChIKey of 2-amino-N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]acetamide?
The InChIKey is FBVZEEMDUJPBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O3/c1-27-12-8-6-11(7-9-12)24-18(26)23-14-5-3-2-4-13(14)20-16(17(23)22-24)21-15(25)10-19/h2-9H,10,19H2,1H3,(H,20,21,25).
What are the key properties of 2-amino-N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]acetamide?
2-amino-N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]acetamide has a molecular weight of 364.37 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-methoxyphenyl)-1-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]acetamide is sourced from PubChem (CID 57325783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).