6-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]quinoline

C16H12N6O2S — CID 122694184

IUPAC6-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]quinoline
SMILESCS(=O)(=O)c1nccc(-c2ccc3ncccc3c2)c1-c1nn[nH]n1
InChIInChI=1S/C16H12N6O2S/c1-25(23,24)16-14(15-19-21-22-20-15)12(6-8-18-16)10-4-5-13-11(9-10)3-2-7-17-13/h2-9H,1H3,(H,19,20,21,22)
InChIKeyFWYMDGBWJGHQQA-UHFFFAOYSA-N
MW352.38 g/mol
LogP1.88
Rot. Bonds3

About 6-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]quinoline

6-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]quinoline (PubChem CID 122694184) has the molecular formula C16H12N6O2S and a molecular weight of 352.38 g/mol. Its IUPAC name is 6-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]quinoline.

Molecular Properties

Compound Name6-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]quinoline
PubChem CID122694184
Molecular FormulaC16H12N6O2S
Molecular Weight352.38 g/mol
Exact Mass352.07
IUPAC Name6-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]quinoline
SMILESCS(=O)(=O)c1nccc(-c2ccc3ncccc3c2)c1-c1nn[nH]n1
InChIInChI=1S/C16H12N6O2S/c1-25(23,24)16-14(15-19-21-22-20-15)12(6-8-18-16)10-4-5-13-11(9-10)3-2-7-17-13/h2-9H,1H3,(H,19,20,21,22)
InChIKeyFWYMDGBWJGHQQA-UHFFFAOYSA-N
XLogP1.88
TPSA114.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-quinolin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266312
4-(2-methylphenyl)-2-methylsulfonyl-3-(2H-tetrazol-5-yl)pyridine
CID 122694234
4-[5-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]-2-pyridinyl]morpholine
CID 122694161
[6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]isoquinolin-1-yl]methanamine
CID 122694258
6-(azetidin-1-ium-3-ylsulfonyl)-3-quinolin-6-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide;2,2,2-trifluoroacetate
CID 135149713
4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide
CID 118256777
6-(4-methylsulfonylphenyl)quinoline
CID 72888822
2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyrimidine
CID 122694084
6-(1-methylazetidin-3-yl)sulfinyl-3-quinolin-3-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 145214552
6-[2-[[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
CID 59160543
N'-hydrazinyl-4-quinolin-6-yl-2-sulfamoylpyridine-3-carboximidamide
CID 144893372
4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]pyridine-2,6-diamine
CID 122694139

Frequently Asked Questions

What is the IUPAC name of 6-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]quinoline?
The IUPAC name of 6-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]quinoline (CID 122694184) is 6-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]quinoline.
What is the SMILES notation for 6-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]quinoline?
The canonical SMILES for 6-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]quinoline is CS(=O)(=O)c1nccc(-c2ccc3ncccc3c2)c1-c1nn[nH]n1.
What is the InChIKey of 6-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]quinoline?
The InChIKey is FWYMDGBWJGHQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O2S/c1-25(23,24)16-14(15-19-21-22-20-15)12(6-8-18-16)10-4-5-13-11(9-10)3-2-7-17-13/h2-9H,1H3,(H,19,20,21,22).
What are the key properties of 6-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]quinoline?
6-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]quinoline has a molecular weight of 352.38 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]quinoline is sourced from PubChem (CID 122694184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).