2-[(4-butyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-cyclohexyl-N-ethylacetamide

C23H31N5O2S — CID 24576394

IUPAC2-[(4-butyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-cyclohexyl-N-ethylacetamide
SMILESCCCCn1c(=O)c2ccccc2n2c(SCC(=O)N(CC)C3CCCCC3)nnc12
InChIInChI=1S/C23H31N5O2S/c1-3-5-15-27-21(30)18-13-9-10-14-19(18)28-22(27)24-25-23(28)31-16-20(29)26(4-2)17-11-7-6-8-12-17/h9-10,13-14,17H,3-8,11-12,15-16H2,1-2H3
InChIKeyNDOCHTZPDCUTIW-UHFFFAOYSA-N
MW441.60 g/mol
LogP4.12
Rot. Bonds8

About 2-[(4-butyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-cyclohexyl-N-ethylacetamide

2-[(4-butyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-cyclohexyl-N-ethylacetamide (PubChem CID 24576394) has the molecular formula C23H31N5O2S and a molecular weight of 441.60 g/mol. Its IUPAC name is 2-[(4-butyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-cyclohexyl-N-ethylacetamide.

Molecular Properties

Compound Name2-[(4-butyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-cyclohexyl-N-ethylacetamide
PubChem CID24576394
Molecular FormulaC23H31N5O2S
Molecular Weight441.60 g/mol
Exact Mass441.22
IUPAC Name2-[(4-butyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-cyclohexyl-N-ethylacetamide
SMILESCCCCn1c(=O)c2ccccc2n2c(SCC(=O)N(CC)C3CCCCC3)nnc12
InChIInChI=1S/C23H31N5O2S/c1-3-5-15-27-21(30)18-13-9-10-14-19(18)28-22(27)24-25-23(28)31-16-20(29)26(4-2)17-11-7-6-8-12-17/h9-10,13-14,17H,3-8,11-12,15-16H2,1-2H3
InChIKeyNDOCHTZPDCUTIW-UHFFFAOYSA-N
XLogP4.12
TPSA72.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.60
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(4-butyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-cyclohexyl-N-ethylacetamide with MolForge

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Related Compounds

N-cyclohexyl-N-ethyl-2-[[4-(4-methylphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]acetamide
CID 42971400
N'-acetyl-2-[(4-butyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetohydrazide
CID 7684990
2-[(4-butyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(2-cyanoethyl)-N-methylacetamide
CID 7685013
N-butyl-2-[(4-butyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
CID 7685014
2-[(5-oxo-4-pentyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
CID 41432650
2-[(4-butyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
CID 7257444
1-(2-oxopropylsulfanyl)-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 2493344
4-butyl-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]sulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 7685029
N-cyclopropyl-2-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
CID 2493452
4-butyl-1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]sulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 24576397
N-(2-methylpropyl)-2-[(5-oxo-4-pentyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
CID 40552088
2-[(4-butyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 16516989

Frequently Asked Questions

What is the IUPAC name of 2-[(4-butyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-cyclohexyl-N-ethylacetamide?
The IUPAC name of 2-[(4-butyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-cyclohexyl-N-ethylacetamide (CID 24576394) is 2-[(4-butyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-cyclohexyl-N-ethylacetamide.
What is the SMILES notation for 2-[(4-butyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-cyclohexyl-N-ethylacetamide?
The canonical SMILES for 2-[(4-butyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-cyclohexyl-N-ethylacetamide is CCCCn1c(=O)c2ccccc2n2c(SCC(=O)N(CC)C3CCCCC3)nnc12.
What is the InChIKey of 2-[(4-butyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-cyclohexyl-N-ethylacetamide?
The InChIKey is NDOCHTZPDCUTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2S/c1-3-5-15-27-21(30)18-13-9-10-14-19(18)28-22(27)24-25-23(28)31-16-20(29)26(4-2)17-11-7-6-8-12-17/h9-10,13-14,17H,3-8,11-12,15-16H2,1-2H3.
What are the key properties of 2-[(4-butyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-cyclohexyl-N-ethylacetamide?
2-[(4-butyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-cyclohexyl-N-ethylacetamide has a molecular weight of 441.60 g/mol, XLogP of 4.12, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-butyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-cyclohexyl-N-ethylacetamide is sourced from PubChem (CID 24576394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).