ethyl 2-(4-methoxyphenyl)-8-methyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate

C20H20N4O3 — CID 118721216

IUPACethyl 2-(4-methoxyphenyl)-8-methyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate
SMILESCCOC(=O)N1Cc2nc(-c3ccc(OC)cc3)nn2-c2cc(C)ccc21
InChIInChI=1S/C20H20N4O3/c1-4-27-20(25)23-12-18-21-19(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
InChIKeyRTLGOCSNDGKWTR-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.73
Rot. Bonds3

About ethyl 2-(4-methoxyphenyl)-8-methyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate

ethyl 2-(4-methoxyphenyl)-8-methyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate (PubChem CID 118721216) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is ethyl 2-(4-methoxyphenyl)-8-methyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-methoxyphenyl)-8-methyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate
PubChem CID118721216
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Nameethyl 2-(4-methoxyphenyl)-8-methyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate
SMILESCCOC(=O)N1Cc2nc(-c3ccc(OC)cc3)nn2-c2cc(C)ccc21
InChIInChI=1S/C20H20N4O3/c1-4-27-20(25)23-12-18-21-19(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
InChIKeyRTLGOCSNDGKWTR-UHFFFAOYSA-N
XLogP3.73
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxyphenyl)-8-methyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate?
The IUPAC name of ethyl 2-(4-methoxyphenyl)-8-methyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate (CID 118721216) is ethyl 2-(4-methoxyphenyl)-8-methyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate.
What is the SMILES notation for ethyl 2-(4-methoxyphenyl)-8-methyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate?
The canonical SMILES for ethyl 2-(4-methoxyphenyl)-8-methyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate is CCOC(=O)N1Cc2nc(-c3ccc(OC)cc3)nn2-c2cc(C)ccc21.
What is the InChIKey of ethyl 2-(4-methoxyphenyl)-8-methyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate?
The InChIKey is RTLGOCSNDGKWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-4-27-20(25)23-12-18-21-19(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 ethyl 2-(4-methoxyphenyl)-8-methyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate?
ethyl 2-(4-methoxyphenyl)-8-methyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate has a molecular weight of 364.41 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxyphenyl)-8-methyl-4H-[1,2,4]triazolo[1,5-a]quinoxaline-5-carboxylate is sourced from PubChem (CID 118721216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).