8-(1-methylpiperidin-4-yl)-3-pyridin-2-ylsulfonylquinoline

C20H21N3O2S — CID 72549033

IUPAC8-(1-methylpiperidin-4-yl)-3-pyridin-2-ylsulfonylquinoline
SMILESCN1CCC(c2cccc3cc(S(=O)(=O)c4ccccn4)cnc23)CC1
InChIInChI=1S/C20H21N3O2S/c1-23-11-8-15(9-12-23)18-6-4-5-16-13-17(14-22-20(16)18)26(24,25)19-7-2-3-10-21-19/h2-7,10,13-15H,8-9,11-12H2,1H3
InChIKeyCNJLQPMEVJPMIO-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.27
Rot. Bonds3

About 8-(1-methylpiperidin-4-yl)-3-pyridin-2-ylsulfonylquinoline

8-(1-methylpiperidin-4-yl)-3-pyridin-2-ylsulfonylquinoline (PubChem CID 72549033) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 8-(1-methylpiperidin-4-yl)-3-pyridin-2-ylsulfonylquinoline.

Molecular Properties

Compound Name8-(1-methylpiperidin-4-yl)-3-pyridin-2-ylsulfonylquinoline
PubChem CID72549033
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name8-(1-methylpiperidin-4-yl)-3-pyridin-2-ylsulfonylquinoline
SMILESCN1CCC(c2cccc3cc(S(=O)(=O)c4ccccn4)cnc23)CC1
InChIInChI=1S/C20H21N3O2S/c1-23-11-8-15(9-12-23)18-6-4-5-16-13-17(14-22-20(16)18)26(24,25)19-7-2-3-10-21-19/h2-7,10,13-15H,8-9,11-12H2,1H3
InChIKeyCNJLQPMEVJPMIO-UHFFFAOYSA-N
XLogP3.27
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
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 ≤ 105

Analyze 8-(1-methylpiperidin-4-yl)-3-pyridin-2-ylsulfonylquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(1-methylpiperidin-4-yl)-3-pyridin-2-ylsulfonylquinoline?
The IUPAC name of 8-(1-methylpiperidin-4-yl)-3-pyridin-2-ylsulfonylquinoline (CID 72549033) is 8-(1-methylpiperidin-4-yl)-3-pyridin-2-ylsulfonylquinoline.
What is the SMILES notation for 8-(1-methylpiperidin-4-yl)-3-pyridin-2-ylsulfonylquinoline?
The canonical SMILES for 8-(1-methylpiperidin-4-yl)-3-pyridin-2-ylsulfonylquinoline is CN1CCC(c2cccc3cc(S(=O)(=O)c4ccccn4)cnc23)CC1.
What is the InChIKey of 8-(1-methylpiperidin-4-yl)-3-pyridin-2-ylsulfonylquinoline?
The InChIKey is CNJLQPMEVJPMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-23-11-8-15(9-12-23)18-6-4-5-16-13-17(14-22-20(16)18)26(24,25)19-7-2-3-10-21-19/h2-7,10,13-15H,8-9,11-12H2,1H3.
What are the key properties of 8-(1-methylpiperidin-4-yl)-3-pyridin-2-ylsulfonylquinoline?
8-(1-methylpiperidin-4-yl)-3-pyridin-2-ylsulfonylquinoline has a molecular weight of 367.47 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methylpiperidin-4-yl)-3-pyridin-2-ylsulfonylquinoline is sourced from PubChem (CID 72549033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).