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

C16H11ClN4O2 — CID 10449090

IUPAC8-chloro-2-(4-methoxyphenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
SMILESCOc1ccc(-c2nc3c(=O)[nH]c4ccc(Cl)cc4n3n2)cc1
InChIInChI=1S/C16H11ClN4O2/c1-23-11-5-2-9(3-6-11)14-19-15-16(22)18-12-7-4-10(17)8-13(12)21(15)20-14/h2-8H,1H3,(H,18,22)
InChIKeyCRNSVOSEEIHNQB-UHFFFAOYSA-N
MW326.74 g/mol
LogP2.90
Rot. Bonds2

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

8-chloro-2-(4-methoxyphenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one (PubChem CID 10449090) has the molecular formula C16H11ClN4O2 and a molecular weight of 326.74 g/mol. Its IUPAC name is 8-chloro-2-(4-methoxyphenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name8-chloro-2-(4-methoxyphenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
PubChem CID10449090
Molecular FormulaC16H11ClN4O2
Molecular Weight326.74 g/mol
Exact Mass326.06
IUPAC Name8-chloro-2-(4-methoxyphenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
SMILESCOc1ccc(-c2nc3c(=O)[nH]c4ccc(Cl)cc4n3n2)cc1
InChIInChI=1S/C16H11ClN4O2/c1-23-11-5-2-9(3-6-11)14-19-15-16(22)18-12-7-4-10(17)8-13(12)21(15)20-14/h2-8H,1H3,(H,18,22)
InChIKeyCRNSVOSEEIHNQB-UHFFFAOYSA-N
XLogP2.90
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.74
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(4-methoxyphenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one?
The IUPAC name of 8-chloro-2-(4-methoxyphenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one (CID 10449090) is 8-chloro-2-(4-methoxyphenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 8-chloro-2-(4-methoxyphenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 8-chloro-2-(4-methoxyphenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one is COc1ccc(-c2nc3c(=O)[nH]c4ccc(Cl)cc4n3n2)cc1.
What is the InChIKey of 8-chloro-2-(4-methoxyphenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one?
The InChIKey is CRNSVOSEEIHNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O2/c1-23-11-5-2-9(3-6-11)14-19-15-16(22)18-12-7-4-10(17)8-13(12)21(15)20-14/h2-8H,1H3,(H,18,22).
What are the key properties of 8-chloro-2-(4-methoxyphenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one?
8-chloro-2-(4-methoxyphenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one has a molecular weight of 326.74 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(4-methoxyphenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 10449090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).