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

C19H16FN5O — CID 71152240

IUPACN-ethyl-1-(2-fluorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
SMILESCCNC(=O)c1ccc2nc(C)c3nnc(-c4ccccc4F)n3c2c1
InChIInChI=1S/C19H16FN5O/c1-3-21-19(26)12-8-9-15-16(10-12)25-17(11(2)22-15)23-24-18(25)13-6-4-5-7-14(13)20/h4-10H,3H2,1-2H3,(H,21,26)
InChIKeyASJRPPJEYHNNET-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.14
Rot. Bonds3

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

N-ethyl-1-(2-fluorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide (PubChem CID 71152240) has the molecular formula C19H16FN5O and a molecular weight of 349.37 g/mol. Its IUPAC name is N-ethyl-1-(2-fluorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(2-fluorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
PubChem CID71152240
Molecular FormulaC19H16FN5O
Molecular Weight349.37 g/mol
Exact Mass349.13
IUPAC NameN-ethyl-1-(2-fluorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide
SMILESCCNC(=O)c1ccc2nc(C)c3nnc(-c4ccccc4F)n3c2c1
InChIInChI=1S/C19H16FN5O/c1-3-21-19(26)12-8-9-15-16(10-12)25-17(11(2)22-15)23-24-18(25)13-6-4-5-7-14(13)20/h4-10H,3H2,1-2H3,(H,21,26)
InChIKeyASJRPPJEYHNNET-UHFFFAOYSA-N
XLogP3.14
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
The IUPAC name of N-ethyl-1-(2-fluorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide (CID 71152240) is N-ethyl-1-(2-fluorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide.
What is the SMILES notation for N-ethyl-1-(2-fluorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
The canonical SMILES for N-ethyl-1-(2-fluorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide is CCNC(=O)c1ccc2nc(C)c3nnc(-c4ccccc4F)n3c2c1.
What is the InChIKey of N-ethyl-1-(2-fluorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
The InChIKey is ASJRPPJEYHNNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O/c1-3-21-19(26)12-8-9-15-16(10-12)25-17(11(2)22-15)23-24-18(25)13-6-4-5-7-14(13)20/h4-10H,3H2,1-2H3,(H,21,26).
What are the key properties of N-ethyl-1-(2-fluorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide?
N-ethyl-1-(2-fluorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide has a molecular weight of 349.37 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-fluorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide is sourced from PubChem (CID 71152240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).