1-(2-chloro-6-fluorophenyl)-8-ethenyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline

C18H12ClFN4 — CID 89315943

IUPAC1-(2-chloro-6-fluorophenyl)-8-ethenyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESC=Cc1ccc2nc(C)c3nnc(-c4c(F)cccc4Cl)n3c2c1
InChIInChI=1S/C18H12ClFN4/c1-3-11-7-8-14-15(9-11)24-17(10(2)21-14)22-23-18(24)16-12(19)5-4-6-13(16)20/h3-9H,1H2,2H3
InChIKeyADCUCKZPYWAEBQ-UHFFFAOYSA-N
MW338.77 g/mol
LogP4.69
Rot. Bonds2

About 1-(2-chloro-6-fluorophenyl)-8-ethenyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline

1-(2-chloro-6-fluorophenyl)-8-ethenyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 89315943) has the molecular formula C18H12ClFN4 and a molecular weight of 338.77 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-8-ethenyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-8-ethenyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID89315943
Molecular FormulaC18H12ClFN4
Molecular Weight338.77 g/mol
Exact Mass338.07
IUPAC Name1-(2-chloro-6-fluorophenyl)-8-ethenyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESC=Cc1ccc2nc(C)c3nnc(-c4c(F)cccc4Cl)n3c2c1
InChIInChI=1S/C18H12ClFN4/c1-3-11-7-8-14-15(9-11)24-17(10(2)21-14)22-23-18(24)16-12(19)5-4-6-13(16)20/h3-9H,1H2,2H3
InChIKeyADCUCKZPYWAEBQ-UHFFFAOYSA-N
XLogP4.69
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.77
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-chloro-6-fluorophenyl)-8-ethenyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-8-ethenyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-8-ethenyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline (CID 89315943) is 1-(2-chloro-6-fluorophenyl)-8-ethenyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-8-ethenyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-8-ethenyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline is C=Cc1ccc2nc(C)c3nnc(-c4c(F)cccc4Cl)n3c2c1.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-8-ethenyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is ADCUCKZPYWAEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN4/c1-3-11-7-8-14-15(9-11)24-17(10(2)21-14)22-23-18(24)16-12(19)5-4-6-13(16)20/h3-9H,1H2,2H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-8-ethenyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline?
1-(2-chloro-6-fluorophenyl)-8-ethenyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 338.77 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-8-ethenyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 89315943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).