1-[2-(4-methoxyphenyl)-8-methyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl]propan-1-one

C20H20N4O2 — CID 118721215

IUPAC1-[2-(4-methoxyphenyl)-8-methyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl]propan-1-one
SMILESCCC(=O)N1Cc2nc(-c3ccc(OC)cc3)nn2-c2cc(C)ccc21
InChIInChI=1S/C20H20N4O2/c1-4-19(25)23-12-18-21-20(14-6-8-15(26-3)9-7-14)22-24(18)17-11-13(2)5-10-16(17)23/h5-11H,4,12H2,1-3H3
InChIKeyWQEKRARRQHTSAU-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.51
Rot. Bonds3

About 1-[2-(4-methoxyphenyl)-8-methyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl]propan-1-one

1-[2-(4-methoxyphenyl)-8-methyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl]propan-1-one (PubChem CID 118721215) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)-8-methyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)-8-methyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl]propan-1-one
PubChem CID118721215
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name1-[2-(4-methoxyphenyl)-8-methyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl]propan-1-one
SMILESCCC(=O)N1Cc2nc(-c3ccc(OC)cc3)nn2-c2cc(C)ccc21
InChIInChI=1S/C20H20N4O2/c1-4-19(25)23-12-18-21-20(14-6-8-15(26-3)9-7-14)22-24(18)17-11-13(2)5-10-16(17)23/h5-11H,4,12H2,1-3H3
InChIKeyWQEKRARRQHTSAU-UHFFFAOYSA-N
XLogP3.51
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-2-(2-methyl-5-oxo-[1,2,4]triazolo[1,5-c]quinazolin-6-yl)acetamide
CID 5309264
2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]quinoxalin-4(5H)-one
CID 10039961
2-(4-methoxyphenyl)-8-methyl-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
CID 11522379
ethyl 2-(4-methoxyphenyl)-8-methyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate
CID 118721216
prop-2-ynyl 2-(4-methoxyphenyl)-8-methyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate
CID 118721217
1-[2-(4-methoxyphenyl)-8-methyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl]-2-phenylethanone
CID 118721218
benzyl 2-(4-methoxyphenyl)-8-methyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate
CID 118721219
2-(4-Methoxyphenyl)-8-methyl-[1,2,4]triazolo[1,5-a]quinoxaline
CID 118721486
2-(4-methoxyphenyl)-6-{2-[4-(2-methoxyphenyl)piperazino]-2-oxoethyl}[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one
CID 16032985
N-(2,5-difluorophenyl)-2-[2-(4-methoxyphenyl)-5-oxo-[1,2,4]triazolo[1,5-c]quinazolin-6-yl]acetamide
CID 16032987
6-{2-[4-(2-Fluorophenyl)piperazin-1-YL]-2-oxoethyl}-2-(4-methoxyphenyl)-5H,6H-[1,2,4]triazolo[1,5-C]quinazolin-5-one
CID 16033005
6-{2-[4-(4-Fluorophenyl)piperazin-1-YL]-2-oxoethyl}-2-(4-methoxyphenyl)-5H,6H-[1,2,4]triazolo[1,5-C]quinazolin-5-one
CID 16032990

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)-8-methyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl]propan-1-one?
The IUPAC name of 1-[2-(4-methoxyphenyl)-8-methyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl]propan-1-one (CID 118721215) is 1-[2-(4-methoxyphenyl)-8-methyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl]propan-1-one.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)-8-methyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl]propan-1-one?
The canonical SMILES for 1-[2-(4-methoxyphenyl)-8-methyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl]propan-1-one is CCC(=O)N1Cc2nc(-c3ccc(OC)cc3)nn2-c2cc(C)ccc21.
What is the InChIKey of 1-[2-(4-methoxyphenyl)-8-methyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl]propan-1-one?
The InChIKey is WQEKRARRQHTSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-4-19(25)23-12-18-21-20(14-6-8-15(26-3)9-7-14)22-24(18)17-11-13(2)5-10-16(17)23/h5-11H,4,12H2,1-3H3.
What are the key properties of 1-[2-(4-methoxyphenyl)-8-methyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl]propan-1-one?
1-[2-(4-methoxyphenyl)-8-methyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl]propan-1-one has a molecular weight of 348.41 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)-8-methyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl]propan-1-one is sourced from PubChem (CID 118721215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).