8-chloro-2-(2-fluorophenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one

C15H8ClFN4O — CID 10425813

IUPAC8-chloro-2-(2-fluorophenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
SMILESO=c1[nH]c2ccc(Cl)cc2n2nc(-c3ccccc3F)nc12
InChIInChI=1S/C15H8ClFN4O/c16-8-5-6-11-12(7-8)21-14(15(22)18-11)19-13(20-21)9-3-1-2-4-10(9)17/h1-7H,(H,18,22)
InChIKeyMFAOPVVDIAJYCL-UHFFFAOYSA-N
MW314.71 g/mol
LogP3.03
Rot. Bonds1

About 8-chloro-2-(2-fluorophenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one

8-chloro-2-(2-fluorophenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one (PubChem CID 10425813) has the molecular formula C15H8ClFN4O and a molecular weight of 314.71 g/mol. Its IUPAC name is 8-chloro-2-(2-fluorophenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name8-chloro-2-(2-fluorophenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
PubChem CID10425813
Molecular FormulaC15H8ClFN4O
Molecular Weight314.71 g/mol
Exact Mass314.04
IUPAC Name8-chloro-2-(2-fluorophenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
SMILESO=c1[nH]c2ccc(Cl)cc2n2nc(-c3ccccc3F)nc12
InChIInChI=1S/C15H8ClFN4O/c16-8-5-6-11-12(7-8)21-14(15(22)18-11)19-13(20-21)9-3-1-2-4-10(9)17/h1-7H,(H,18,22)
InChIKeyMFAOPVVDIAJYCL-UHFFFAOYSA-N
XLogP3.03
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.71
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-Chloro-2-(2-fluorophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-ol
CID 135736240
9-chloro-2-(3-fluorophenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 135736249
9-Chloro-2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5(3H)-one
CID 135778278
9-chloro-2-(4-fluorophenyl)-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
CID 136035280
1-phenyl[1,2,4]triazolo[4,3-a]quinoxalin-4(5H)-one
CID 901348
8-chloro-2-(3-fluorophenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
CID 9972965
2-(2-fluorophenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
CID 10016491
8-Chloro-2-(2-fluoro-phenyl)-[1,2,4]triazolo[1,5-a]quinoxalin-4-ylamine
CID 10267612
8-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]quinoxalin-4(5H)-one
CID 44405115
8-chloro-2-phenyl-[1,2,4]triazolo[1,5-a]quinoxalin-4(5H)-one
CID 44405119
2-phenyl-[1,2,4]triazolo[1,5-a]quinoxalin-4(5H)-one
CID 44405123
1-(8-chloro-2-phenyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-5-yl)propan-1-one
CID 118721207

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(2-fluorophenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one?
The IUPAC name of 8-chloro-2-(2-fluorophenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one (CID 10425813) is 8-chloro-2-(2-fluorophenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 8-chloro-2-(2-fluorophenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 8-chloro-2-(2-fluorophenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one is O=c1[nH]c2ccc(Cl)cc2n2nc(-c3ccccc3F)nc12.
What is the InChIKey of 8-chloro-2-(2-fluorophenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one?
The InChIKey is MFAOPVVDIAJYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClFN4O/c16-8-5-6-11-12(7-8)21-14(15(22)18-11)19-13(20-21)9-3-1-2-4-10(9)17/h1-7H,(H,18,22).
What are the key properties of 8-chloro-2-(2-fluorophenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one?
8-chloro-2-(2-fluorophenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one has a molecular weight of 314.71 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(2-fluorophenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 10425813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).