N-ethyl-1-(2-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide

C20H19N5O2 — CID 71151948

IUPACN-ethyl-1-(2-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
SMILESCCNC(=O)c1ccc2nc(C)c3nnc(-c4ccccc4OC)n3c2c1
InChIInChI=1S/C20H19N5O2/c1-4-21-20(26)13-9-10-15-16(11-13)25-18(12(2)22-15)23-24-19(25)14-7-5-6-8-17(14)27-3/h5-11H,4H2,1-3H3,(H,21,26)
InChIKeyHXWSGMZHUJKHOE-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.01
Rot. Bonds4

About N-ethyl-1-(2-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide

N-ethyl-1-(2-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide (PubChem CID 71151948) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-ethyl-1-(2-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(2-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
PubChem CID71151948
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC NameN-ethyl-1-(2-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
SMILESCCNC(=O)c1ccc2nc(C)c3nnc(-c4ccccc4OC)n3c2c1
InChIInChI=1S/C20H19N5O2/c1-4-21-20(26)13-9-10-15-16(11-13)25-18(12(2)22-15)23-24-19(25)14-7-5-6-8-17(14)27-3/h5-11H,4H2,1-3H3,(H,21,26)
InChIKeyHXWSGMZHUJKHOE-UHFFFAOYSA-N
XLogP3.01
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
The IUPAC name of N-ethyl-1-(2-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide (CID 71151948) is N-ethyl-1-(2-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide.
What is the SMILES notation for N-ethyl-1-(2-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
The canonical SMILES for N-ethyl-1-(2-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide is CCNC(=O)c1ccc2nc(C)c3nnc(-c4ccccc4OC)n3c2c1.
What is the InChIKey of N-ethyl-1-(2-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
The InChIKey is HXWSGMZHUJKHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-4-21-20(26)13-9-10-15-16(11-13)25-18(12(2)22-15)23-24-19(25)14-7-5-6-8-17(14)27-3/h5-11H,4H2,1-3H3,(H,21,26).
What are the key properties of N-ethyl-1-(2-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
N-ethyl-1-(2-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide is sourced from PubChem (CID 71151948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).