N-(4-fluorophenyl)-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide

C18H14FN5OS — CID 53082654

IUPACN-(4-fluorophenyl)-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide
SMILESCc1nnc2c(SCC(=O)Nc3ccc(F)cc3)nc3ccccc3n12
InChIInChI=1S/C18H14FN5OS/c1-11-22-23-17-18(21-14-4-2-3-5-15(14)24(11)17)26-10-16(25)20-13-8-6-12(19)7-9-13/h2-9H,10H2,1H3,(H,20,25)
InChIKeyAJSHAQRHNZHODS-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.46
Rot. Bonds4

About N-(4-fluorophenyl)-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide

N-(4-fluorophenyl)-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide (PubChem CID 53082654) has the molecular formula C18H14FN5OS and a molecular weight of 367.41 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide
PubChem CID53082654
Molecular FormulaC18H14FN5OS
Molecular Weight367.41 g/mol
Exact Mass367.09
IUPAC NameN-(4-fluorophenyl)-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide
SMILESCc1nnc2c(SCC(=O)Nc3ccc(F)cc3)nc3ccccc3n12
InChIInChI=1S/C18H14FN5OS/c1-11-22-23-17-18(21-14-4-2-3-5-15(14)24(11)17)26-10-16(25)20-13-8-6-12(19)7-9-13/h2-9H,10H2,1H3,(H,20,25)
InChIKeyAJSHAQRHNZHODS-UHFFFAOYSA-N
XLogP3.46
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide (CID 53082654) is N-(4-fluorophenyl)-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide is Cc1nnc2c(SCC(=O)Nc3ccc(F)cc3)nc3ccccc3n12.
What is the InChIKey of N-(4-fluorophenyl)-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide?
The InChIKey is AJSHAQRHNZHODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5OS/c1-11-22-23-17-18(21-14-4-2-3-5-15(14)24(11)17)26-10-16(25)20-13-8-6-12(19)7-9-13/h2-9H,10H2,1H3,(H,20,25).
What are the key properties of N-(4-fluorophenyl)-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide?
N-(4-fluorophenyl)-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide has a molecular weight of 367.41 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide is sourced from PubChem (CID 53082654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).