8-[[2-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonylmethyl]quinoline

C19H22N4O2S — CID 167796154

IUPAC8-[[2-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonylmethyl]quinoline
SMILESCn1cc(C2CCCCN2S(=O)(=O)Cc2cccc3cccnc23)cn1
InChIInChI=1S/C19H22N4O2S/c1-22-13-17(12-21-22)18-9-2-3-11-23(18)26(24,25)14-16-7-4-6-15-8-5-10-20-19(15)16/h4-8,10,12-13,18H,2-3,9,11,14H2,1H3
InChIKeyFARBUDBKHJWHMZ-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.03
Rot. Bonds4

About 8-[[2-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonylmethyl]quinoline

8-[[2-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonylmethyl]quinoline (PubChem CID 167796154) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 8-[[2-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonylmethyl]quinoline.

Molecular Properties

Compound Name8-[[2-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonylmethyl]quinoline
PubChem CID167796154
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name8-[[2-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonylmethyl]quinoline
SMILESCn1cc(C2CCCCN2S(=O)(=O)Cc2cccc3cccnc23)cn1
InChIInChI=1S/C19H22N4O2S/c1-22-13-17(12-21-22)18-9-2-3-11-23(18)26(24,25)14-16-7-4-6-15-8-5-10-20-19(15)16/h4-8,10,12-13,18H,2-3,9,11,14H2,1H3
InChIKeyFARBUDBKHJWHMZ-UHFFFAOYSA-N
XLogP3.03
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[[2-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonylmethyl]quinoline?
The IUPAC name of 8-[[2-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonylmethyl]quinoline (CID 167796154) is 8-[[2-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonylmethyl]quinoline.
What is the SMILES notation for 8-[[2-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonylmethyl]quinoline?
The canonical SMILES for 8-[[2-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonylmethyl]quinoline is Cn1cc(C2CCCCN2S(=O)(=O)Cc2cccc3cccnc23)cn1.
What is the InChIKey of 8-[[2-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonylmethyl]quinoline?
The InChIKey is FARBUDBKHJWHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-22-13-17(12-21-22)18-9-2-3-11-23(18)26(24,25)14-16-7-4-6-15-8-5-10-20-19(15)16/h4-8,10,12-13,18H,2-3,9,11,14H2,1H3.
What are the key properties of 8-[[2-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonylmethyl]quinoline?
8-[[2-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonylmethyl]quinoline has a molecular weight of 370.48 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[2-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonylmethyl]quinoline is sourced from PubChem (CID 167796154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).