3-[3-[3-(4-chlorophenyl)-5-quinoxalin-6-yl-1,2,4-triazol-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one

C24H14ClN7O2 — CID 177237177

IUPAC3-[3-[3-(4-chlorophenyl)-5-quinoxalin-6-yl-1,2,4-triazol-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one
SMILESO=c1[nH]c(-c2cccc(-n3nc(-c4ccc(Cl)cc4)nc3-c3ccc4nccnc4c3)c2)no1
InChIInChI=1S/C24H14ClN7O2/c25-17-7-4-14(5-8-17)21-28-23(16-6-9-19-20(13-16)27-11-10-26-19)32(30-21)18-3-1-2-15(12-18)22-29-24(33)34-31-22/h1-13H,(H,29,31,33)
InChIKeyFLDMKHRAAGMJEU-UHFFFAOYSA-N
MW467.88 g/mol
LogP4.54
Rot. Bonds4

About 3-[3-[3-(4-chlorophenyl)-5-quinoxalin-6-yl-1,2,4-triazol-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one

3-[3-[3-(4-chlorophenyl)-5-quinoxalin-6-yl-1,2,4-triazol-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 177237177) has the molecular formula C24H14ClN7O2 and a molecular weight of 467.88 g/mol. Its IUPAC name is 3-[3-[3-(4-chlorophenyl)-5-quinoxalin-6-yl-1,2,4-triazol-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[3-[3-(4-chlorophenyl)-5-quinoxalin-6-yl-1,2,4-triazol-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one
PubChem CID177237177
Molecular FormulaC24H14ClN7O2
Molecular Weight467.88 g/mol
Exact Mass467.09
IUPAC Name3-[3-[3-(4-chlorophenyl)-5-quinoxalin-6-yl-1,2,4-triazol-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one
SMILESO=c1[nH]c(-c2cccc(-n3nc(-c4ccc(Cl)cc4)nc3-c3ccc4nccnc4c3)c2)no1
InChIInChI=1S/C24H14ClN7O2/c25-17-7-4-14(5-8-17)21-28-23(16-6-9-19-20(13-16)27-11-10-26-19)32(30-21)18-3-1-2-15(12-18)22-29-24(33)34-31-22/h1-13H,(H,29,31,33)
InChIKeyFLDMKHRAAGMJEU-UHFFFAOYSA-N
XLogP4.54
TPSA115.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.88
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[3-[3-(4-chlorophenyl)-5-quinoxalin-6-yl-1,2,4-triazol-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one with MolForge

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Related Compounds

3-[3-(4-chlorophenyl)-5-quinoxalin-6-yl-1,2,4-triazol-1-yl]benzoic acid
CID 177237121
3-[3-[3-[4-(4-propan-2-yloxyphenyl)phenyl]-5-quinoxalin-6-ylpyrazol-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one
CID 177236992
3-[5-(4-chlorophenyl)-3-quinoxalin-6-yl-1,2,4-triazol-1-yl]benzoic acid
CID 177237124
3-[3-[4-(4-propan-2-yloxyphenyl)phenyl]-5-quinoxalin-6-yl-1,2,4-triazol-1-yl]benzoic acid
CID 177237137
6-[5-(4-chlorophenyl)-2-[4-[2,2,2-trifluoro-1-(4-methylphenyl)ethoxy]sulfanylphenyl]-1,2,4-triazol-3-yl]quinoxaline
CID 177237091
3-[3-(5-prop-2-ynoxytetrazol-1-yl)phenyl]-4H-1,2,4-oxadiazol-5-one
CID 155663791
3-[5-(4-phenylphenyl)-3-quinoxalin-6-ylpyrazol-1-yl]benzoic acid
CID 177237060
4-[1-(6-methyl-2-pyridinyl)-5-quinoxalin-6-yl-1,2,4-triazol-3-yl]benzamide
CID 142669601
3-[3-(5-chloro-6-fluoro-2,3-dihydro-1-benzofuran-2-yl)phenyl]-4H-1,2,4-oxadiazol-5-one
CID 172602908
9-(3-carbazol-9-ylphenyl)-3-(2,5-diphenyl-1,2,4-triazol-3-yl)carbazole
CID 121241285
3-[3-(piperidin-1-ylmethyl)phenyl]-4H-1,2,4-oxadiazol-5-one
CID 146087791
2-(2,5-diphenyl-1,2,4-triazol-3-yl)pyridine
CID 102454692

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(4-chlorophenyl)-5-quinoxalin-6-yl-1,2,4-triazol-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[3-[3-(4-chlorophenyl)-5-quinoxalin-6-yl-1,2,4-triazol-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one (CID 177237177) is 3-[3-[3-(4-chlorophenyl)-5-quinoxalin-6-yl-1,2,4-triazol-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[3-[3-(4-chlorophenyl)-5-quinoxalin-6-yl-1,2,4-triazol-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[3-[3-(4-chlorophenyl)-5-quinoxalin-6-yl-1,2,4-triazol-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one is O=c1[nH]c(-c2cccc(-n3nc(-c4ccc(Cl)cc4)nc3-c3ccc4nccnc4c3)c2)no1.
What is the InChIKey of 3-[3-[3-(4-chlorophenyl)-5-quinoxalin-6-yl-1,2,4-triazol-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one?
The InChIKey is FLDMKHRAAGMJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14ClN7O2/c25-17-7-4-14(5-8-17)21-28-23(16-6-9-19-20(13-16)27-11-10-26-19)32(30-21)18-3-1-2-15(12-18)22-29-24(33)34-31-22/h1-13H,(H,29,31,33).
What are the key properties of 3-[3-[3-(4-chlorophenyl)-5-quinoxalin-6-yl-1,2,4-triazol-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one?
3-[3-[3-(4-chlorophenyl)-5-quinoxalin-6-yl-1,2,4-triazol-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 467.88 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(4-chlorophenyl)-5-quinoxalin-6-yl-1,2,4-triazol-1-yl]phenyl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 177237177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).