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

C18H13FN4 — CID 42599460

IUPAC4-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCc1nnc2c(/C=C/c3ccc(F)cc3)nc3ccccc3n12
InChIInChI=1S/C18H13FN4/c1-12-21-22-18-16(11-8-13-6-9-14(19)10-7-13)20-15-4-2-3-5-17(15)23(12)18/h2-11H,1H3/b11-8+
InChIKeyLQVFKCMYKZPJOL-DHZHZOJOSA-N
MW304.33 g/mol
LogP3.90
Rot. Bonds2

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

4-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 42599460) has the molecular formula C18H13FN4 and a molecular weight of 304.33 g/mol. Its IUPAC name is 4-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name4-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID42599460
Molecular FormulaC18H13FN4
Molecular Weight304.33 g/mol
Exact Mass304.11
IUPAC Name4-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCc1nnc2c(/C=C/c3ccc(F)cc3)nc3ccccc3n12
InChIInChI=1S/C18H13FN4/c1-12-21-22-18-16(11-8-13-6-9-14(19)10-7-13)20-15-4-2-3-5-17(15)23(12)18/h2-11H,1H3/b11-8+
InChIKeyLQVFKCMYKZPJOL-DHZHZOJOSA-N
XLogP3.90
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 4-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline (CID 42599460) is 4-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 4-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 4-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline is Cc1nnc2c(/C=C/c3ccc(F)cc3)nc3ccccc3n12.
What is the InChIKey of 4-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is LQVFKCMYKZPJOL-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H13FN4/c1-12-21-22-18-16(11-8-13-6-9-14(19)10-7-13)20-15-4-2-3-5-17(15)23(12)18/h2-11H,1H3/b11-8+.
What are the key properties of 4-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline?
4-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 304.33 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-fluorophenyl)ethenyl]-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 42599460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).