4-methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline

C16H14N4O2S — CID 24864527

IUPAC4-methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESCC1c2cn[nH]c2-c2ccccc2N1S(=O)(=O)c1cccnc1
InChIInChI=1S/C16H14N4O2S/c1-11-14-10-18-19-16(14)13-6-2-3-7-15(13)20(11)23(21,22)12-5-4-8-17-9-12/h2-11H,1H3,(H,18,19)
InChIKeyDXSPCWDZOUYQGZ-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.74
Rot. Bonds2

About 4-methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline

4-methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline (PubChem CID 24864527) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is 4-methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline.

Molecular Properties

Compound Name4-methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
PubChem CID24864527
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC Name4-methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESCC1c2cn[nH]c2-c2ccccc2N1S(=O)(=O)c1cccnc1
InChIInChI=1S/C16H14N4O2S/c1-11-14-10-18-19-16(14)13-6-2-3-7-15(13)20(11)23(21,22)12-5-4-8-17-9-12/h2-11H,1H3,(H,18,19)
InChIKeyDXSPCWDZOUYQGZ-UHFFFAOYSA-N
XLogP2.74
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The IUPAC name of 4-methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline (CID 24864527) is 4-methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline.
What is the SMILES notation for 4-methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The canonical SMILES for 4-methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline is CC1c2cn[nH]c2-c2ccccc2N1S(=O)(=O)c1cccnc1.
What is the InChIKey of 4-methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The InChIKey is DXSPCWDZOUYQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-11-14-10-18-19-16(14)13-6-2-3-7-15(13)20(11)23(21,22)12-5-4-8-17-9-12/h2-11H,1H3,(H,18,19).
What are the key properties of 4-methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline?
4-methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline has a molecular weight of 326.38 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-pyridin-3-ylsulfonyl-1,4-dihydropyrazolo[4,5-c]quinoline is sourced from PubChem (CID 24864527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).