5-methyl-8-(4-methylthiophen-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one

C16H13N3OS — CID 10266513

IUPAC5-methyl-8-(4-methylthiophen-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESCc1csc(-c2ccc3c(C)cc4n[nH]c(=O)n4c3c2)c1
InChIInChI=1S/C16H13N3OS/c1-9-5-14(21-8-9)11-3-4-12-10(2)6-15-17-18-16(20)19(15)13(12)7-11/h3-8H,1-2H3,(H,18,20)
InChIKeyXEVVVGBZFPTGEN-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.52
Rot. Bonds1

About 5-methyl-8-(4-methylthiophen-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one

5-methyl-8-(4-methylthiophen-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one (PubChem CID 10266513) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is 5-methyl-8-(4-methylthiophen-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one.

Molecular Properties

Compound Name5-methyl-8-(4-methylthiophen-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
PubChem CID10266513
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name5-methyl-8-(4-methylthiophen-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESCc1csc(-c2ccc3c(C)cc4n[nH]c(=O)n4c3c2)c1
InChIInChI=1S/C16H13N3OS/c1-9-5-14(21-8-9)11-3-4-12-10(2)6-15-17-18-16(20)19(15)13(12)7-11/h3-8H,1-2H3,(H,18,20)
InChIKeyXEVVVGBZFPTGEN-UHFFFAOYSA-N
XLogP3.52
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-8-(4-methylthiophen-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one with MolForge

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Related Compounds

5-amino-8-thiophen-2-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 57345537
5-amino-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 69452237
4-(2,5-dimethylphenyl)-3-(5-methylthiophen-3-yl)-1H-1,2,4-triazole-5-thione
CID 843687
5-methyl-8-(thiophen-2-yl)-[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one
CID 49865545
5-(Hydroxymethyl)-8-thien-3-yl[1,2,4]triazolo[4,3-a]quinolin-1(2h)-one
CID 58902643
5-(methoxymethyl)-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 58902644
5-(hydroxymethyl)-8-thiophen-2-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 69452226
5-amino-8-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-3-yl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 69454764
5-amino-8-[5-(methylaminomethyl)thiophen-3-yl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 69455856
3-(dimethylamino)-N-(1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-5-yl)propanamide
CID 69456743
4-(2,5-dimethylphenyl)-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione
CID 899576
5-methyl-8-(4-(methylsulfinyl)phenyl)-[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one
CID 49865353

Frequently Asked Questions

What is the IUPAC name of 5-methyl-8-(4-methylthiophen-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The IUPAC name of 5-methyl-8-(4-methylthiophen-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one (CID 10266513) is 5-methyl-8-(4-methylthiophen-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one.
What is the SMILES notation for 5-methyl-8-(4-methylthiophen-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The canonical SMILES for 5-methyl-8-(4-methylthiophen-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one is Cc1csc(-c2ccc3c(C)cc4n[nH]c(=O)n4c3c2)c1.
What is the InChIKey of 5-methyl-8-(4-methylthiophen-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The InChIKey is XEVVVGBZFPTGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c1-9-5-14(21-8-9)11-3-4-12-10(2)6-15-17-18-16(20)19(15)13(12)7-11/h3-8H,1-2H3,(H,18,20).
What are the key properties of 5-methyl-8-(4-methylthiophen-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
5-methyl-8-(4-methylthiophen-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one has a molecular weight of 295.37 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-8-(4-methylthiophen-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one is sourced from PubChem (CID 10266513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).