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

C25H22N4O2 — CID 118721218

IUPAC1-[2-(4-methoxyphenyl)-8-methyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl]-2-phenylethanone
SMILESCOc1ccc(-c2nc3n(n2)-c2cc(C)ccc2N(C(=O)Cc2ccccc2)C3)cc1
InChIInChI=1S/C25H22N4O2/c1-17-8-13-21-22(14-17)29-23(16-28(21)24(30)15-18-6-4-3-5-7-18)26-25(27-29)19-9-11-20(31-2)12-10-19/h3-14H,15-16H2,1-2H3
InChIKeyGCJFGIQPHWGNTN-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.34
Rot. Bonds4

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

1-[2-(4-methoxyphenyl)-8-methyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl]-2-phenylethanone (PubChem CID 118721218) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)-8-methyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)-8-methyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl]-2-phenylethanone
PubChem CID118721218
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC Name1-[2-(4-methoxyphenyl)-8-methyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl]-2-phenylethanone
SMILESCOc1ccc(-c2nc3n(n2)-c2cc(C)ccc2N(C(=O)Cc2ccccc2)C3)cc1
InChIInChI=1S/C25H22N4O2/c1-17-8-13-21-22(14-17)29-23(16-28(21)24(30)15-18-6-4-3-5-7-18)26-25(27-29)19-9-11-20(31-2)12-10-19/h3-14H,15-16H2,1-2H3
InChIKeyGCJFGIQPHWGNTN-UHFFFAOYSA-N
XLogP4.34
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-2-[2-(4-methoxyphenyl)-6,8-dimethylimidazo[1,2-b]pyridazin-3-yl]acetamide
CID 44197007
2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-ethyl-N-phenylacetamide
CID 127048799
3-[5-(4-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]-N-(4-phenylbutyl)benzamide
CID 141473885
3-[3-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-N-(4-phenylbutyl)benzamide
CID 141473890
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
N-[1-(4-Butoxyphenyl)ethyl]-3-({[1,2,3,4]tetrazolo[1,5-A]quinoxalin-4-YL}amino)benzamide
CID 16021786
1-[2-(4-methoxyphenyl)-8-methyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl]propan-1-one
CID 118721215
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
benzyl 2-(4-methoxyphenyl)-8-methyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate
CID 118721219
N,N-dibenzyl-2-[5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide
CID 127048800

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]-2-phenylethanone?
The IUPAC name of 1-[2-(4-methoxyphenyl)-8-methyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl]-2-phenylethanone (CID 118721218) is 1-[2-(4-methoxyphenyl)-8-methyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl]-2-phenylethanone.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)-8-methyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl]-2-phenylethanone?
The canonical SMILES for 1-[2-(4-methoxyphenyl)-8-methyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl]-2-phenylethanone is COc1ccc(-c2nc3n(n2)-c2cc(C)ccc2N(C(=O)Cc2ccccc2)C3)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)-8-methyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl]-2-phenylethanone?
The InChIKey is GCJFGIQPHWGNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2/c1-17-8-13-21-22(14-17)29-23(16-28(21)24(30)15-18-6-4-3-5-7-18)26-25(27-29)19-9-11-20(31-2)12-10-19/h3-14H,15-16H2,1-2H3.
What are the key properties of 1-[2-(4-methoxyphenyl)-8-methyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl]-2-phenylethanone?
1-[2-(4-methoxyphenyl)-8-methyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl]-2-phenylethanone has a molecular weight of 410.48 g/mol, XLogP of 4.34, 4 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]-2-phenylethanone is sourced from PubChem (CID 118721218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).