N-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide

C19H16N4OS — CID 4181210

IUPACN-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide
SMILESCc1ccc(NC(=O)CSc2nnc3ccc4ccccc4n23)cc1
InChIInChI=1S/C19H16N4OS/c1-13-6-9-15(10-7-13)20-18(24)12-25-19-22-21-17-11-8-14-4-2-3-5-16(14)23(17)19/h2-11H,12H2,1H3,(H,20,24)
InChIKeyRHJSXUYHNKGFCI-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.92
Rot. Bonds4

About N-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide

N-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide (PubChem CID 4181210) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide
PubChem CID4181210
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC NameN-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide
SMILESCc1ccc(NC(=O)CSc2nnc3ccc4ccccc4n23)cc1
InChIInChI=1S/C19H16N4OS/c1-13-6-9-15(10-7-13)20-18(24)12-25-19-22-21-17-11-8-14-4-2-3-5-16(14)23(17)19/h2-11H,12H2,1H3,(H,20,24)
InChIKeyRHJSXUYHNKGFCI-UHFFFAOYSA-N
XLogP3.92
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide
CID 9125389
N-[4-(diethylsulfamoyl)phenyl]-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide
CID 23611456
N-(3,5-dimethylphenyl)-3-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide
CID 46303689
N-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)butanamide
CID 46300796
2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 983882
N-(4-methylphenyl)-2-[(4-propan-2-yl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)sulfanyl]acetamide
CID 2773071
N-(3-chloro-4-methylphenyl)-3-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide
CID 46303692
4-(4-methylphenyl)-2-[3-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanoylamino]thiophene-3-carboxamide
CID 46303776
N-(4-acetamidophenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide
CID 46303604
2-[[4-(3-methylbutyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 16517507
N-(4-methylphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 783683
2-[[5-(2-hydroxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 1374471

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide?
The IUPAC name of N-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide (CID 4181210) is N-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide is Cc1ccc(NC(=O)CSc2nnc3ccc4ccccc4n23)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide?
The InChIKey is RHJSXUYHNKGFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-13-6-9-15(10-7-13)20-18(24)12-25-19-22-21-17-11-8-14-4-2-3-5-16(14)23(17)19/h2-11H,12H2,1H3,(H,20,24).
What are the key properties of N-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide?
N-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide has a molecular weight of 348.43 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)acetamide is sourced from PubChem (CID 4181210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).