2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(oxolan-2-ylmethyl)acetamide

C18H20N4O2S — CID 2939815

IUPAC2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1cc2ccccc2n2c(SCC(=O)NCC3CCCO3)nnc12
InChIInChI=1S/C18H20N4O2S/c1-12-9-13-5-2-3-7-15(13)22-17(12)20-21-18(22)25-11-16(23)19-10-14-6-4-8-24-14/h2-3,5,7,9,14H,4,6,8,10-11H2,1H3,(H,19,23)
InChIKeyYMYSSKBFHDSIOM-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.58
Rot. Bonds5

About 2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(oxolan-2-ylmethyl)acetamide

2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 2939815) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID2939815
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1cc2ccccc2n2c(SCC(=O)NCC3CCCO3)nnc12
InChIInChI=1S/C18H20N4O2S/c1-12-9-13-5-2-3-7-15(13)22-17(12)20-21-18(22)25-11-16(23)19-10-14-6-4-8-24-14/h2-3,5,7,9,14H,4,6,8,10-11H2,1H3,(H,19,23)
InChIKeyYMYSSKBFHDSIOM-UHFFFAOYSA-N
XLogP2.58
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(oxolan-2-ylmethyl)acetamide with MolForge

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Related Compounds

4-Methyl-1-{[2-(4-morpholinyl)-2-oxoethyl]thio}[1,2,4]triazolo[4,3-a]quinoline
CID 752204
2-(4-Morpholinyl)-2-oxoethyl [1,2,4]triazolo[4,3-a]quinolin-1-yl sulfide
CID 852226
(5-Methyl-[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)-acetic acid isopropyl ester
CID 864707
2-((5-Methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio)-N-(thiophen-2-ylmethyl)acetamide
CID 1184257
2-(4-Methyl-[1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)-N-thiophen-2-ylmethyl-acetamide
CID 1374077
2-((3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CID 3238623
N-(2-methoxyethyl)-2-[(2-methyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)thio]acetamide
CID 3238974
2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]-N-(2-oxolanylmethyl)acetamide
CID 3245370
N-butyl-2-[[5-(1H-indol-3-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3936963
2-((5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide
CID 4114707
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide
CID 16196698
2-{[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]acetamide
CID 24891925

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(oxolan-2-ylmethyl)acetamide (CID 2939815) is 2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(oxolan-2-ylmethyl)acetamide is Cc1cc2ccccc2n2c(SCC(=O)NCC3CCCO3)nnc12.
What is the InChIKey of 2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is YMYSSKBFHDSIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-12-9-13-5-2-3-7-15(13)22-17(12)20-21-18(22)25-11-16(23)19-10-14-6-4-8-24-14/h2-3,5,7,9,14H,4,6,8,10-11H2,1H3,(H,19,23).
What are the key properties of 2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(oxolan-2-ylmethyl)acetamide?
2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 356.45 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 2939815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).