8-[4-(pyridin-2-ylmethyl)piperidin-1-yl]sulfonylquinoline

C20H21N3O2S — CID 99816764

IUPAC8-[4-(pyridin-2-ylmethyl)piperidin-1-yl]sulfonylquinoline
SMILESO=S(=O)(c1cccc2cccnc12)N1CCC(Cc2ccccn2)CC1
InChIInChI=1S/C20H21N3O2S/c24-26(25,19-8-3-5-17-6-4-12-22-20(17)19)23-13-9-16(10-14-23)15-18-7-1-2-11-21-18/h1-8,11-12,16H,9-10,13-15H2
InChIKeyHCZBROHKNZFYPH-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.27
Rot. Bonds4

About 8-[4-(pyridin-2-ylmethyl)piperidin-1-yl]sulfonylquinoline

8-[4-(pyridin-2-ylmethyl)piperidin-1-yl]sulfonylquinoline (PubChem CID 99816764) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 8-[4-(pyridin-2-ylmethyl)piperidin-1-yl]sulfonylquinoline.

Molecular Properties

Compound Name8-[4-(pyridin-2-ylmethyl)piperidin-1-yl]sulfonylquinoline
PubChem CID99816764
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name8-[4-(pyridin-2-ylmethyl)piperidin-1-yl]sulfonylquinoline
SMILESO=S(=O)(c1cccc2cccnc12)N1CCC(Cc2ccccn2)CC1
InChIInChI=1S/C20H21N3O2S/c24-26(25,19-8-3-5-17-6-4-12-22-20(17)19)23-13-9-16(10-14-23)15-18-7-1-2-11-21-18/h1-8,11-12,16H,9-10,13-15H2
InChIKeyHCZBROHKNZFYPH-UHFFFAOYSA-N
XLogP3.27
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(pyridin-2-ylmethyl)piperidin-1-yl]sulfonylquinoline?
The IUPAC name of 8-[4-(pyridin-2-ylmethyl)piperidin-1-yl]sulfonylquinoline (CID 99816764) is 8-[4-(pyridin-2-ylmethyl)piperidin-1-yl]sulfonylquinoline.
What is the SMILES notation for 8-[4-(pyridin-2-ylmethyl)piperidin-1-yl]sulfonylquinoline?
The canonical SMILES for 8-[4-(pyridin-2-ylmethyl)piperidin-1-yl]sulfonylquinoline is O=S(=O)(c1cccc2cccnc12)N1CCC(Cc2ccccn2)CC1.
What is the InChIKey of 8-[4-(pyridin-2-ylmethyl)piperidin-1-yl]sulfonylquinoline?
The InChIKey is HCZBROHKNZFYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c24-26(25,19-8-3-5-17-6-4-12-22-20(17)19)23-13-9-16(10-14-23)15-18-7-1-2-11-21-18/h1-8,11-12,16H,9-10,13-15H2.
What are the key properties of 8-[4-(pyridin-2-ylmethyl)piperidin-1-yl]sulfonylquinoline?
8-[4-(pyridin-2-ylmethyl)piperidin-1-yl]sulfonylquinoline has a molecular weight of 367.47 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(pyridin-2-ylmethyl)piperidin-1-yl]sulfonylquinoline is sourced from PubChem (CID 99816764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).