3-methyl-8-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylquinoline;hydrochloride

C19H26ClN3O2S — CID 120714217

IUPAC3-methyl-8-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylquinoline;hydrochloride
SMILESCc1cnc2c(S(=O)(=O)N3CCC(C4CCCN4)CC3)cccc2c1.Cl
InChIInChI=1S/C19H25N3O2S.ClH/c1-14-12-16-4-2-6-18(19(16)21-13-14)25(23,24)22-10-7-15(8-11-22)17-5-3-9-20-17;/h2,4,6,12-13,15,17,20H,3,5,7-11H2,1H3;1H
InChIKeyYQCVBGWNUHIBDV-UHFFFAOYSA-N
MW395.96 g/mol
LogP3.12
Rot. Bonds3

About 3-methyl-8-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylquinoline;hydrochloride

3-methyl-8-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylquinoline;hydrochloride (PubChem CID 120714217) has the molecular formula C19H26ClN3O2S and a molecular weight of 395.96 g/mol. Its IUPAC name is 3-methyl-8-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylquinoline;hydrochloride.

Molecular Properties

Compound Name3-methyl-8-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylquinoline;hydrochloride
PubChem CID120714217
Molecular FormulaC19H26ClN3O2S
Molecular Weight395.96 g/mol
Exact Mass395.14
IUPAC Name3-methyl-8-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylquinoline;hydrochloride
SMILESCc1cnc2c(S(=O)(=O)N3CCC(C4CCCN4)CC3)cccc2c1.Cl
InChIInChI=1S/C19H25N3O2S.ClH/c1-14-12-16-4-2-6-18(19(16)21-13-14)25(23,24)22-10-7-15(8-11-22)17-5-3-9-20-17;/h2,4,6,12-13,15,17,20H,3,5,7-11H2,1H3;1H
InChIKeyYQCVBGWNUHIBDV-UHFFFAOYSA-N
XLogP3.12
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.96
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylquinoline;hydrochloride?
The IUPAC name of 3-methyl-8-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylquinoline;hydrochloride (CID 120714217) is 3-methyl-8-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylquinoline;hydrochloride.
What is the SMILES notation for 3-methyl-8-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylquinoline;hydrochloride?
The canonical SMILES for 3-methyl-8-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylquinoline;hydrochloride is Cc1cnc2c(S(=O)(=O)N3CCC(C4CCCN4)CC3)cccc2c1.Cl.
What is the InChIKey of 3-methyl-8-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylquinoline;hydrochloride?
The InChIKey is YQCVBGWNUHIBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S.ClH/c1-14-12-16-4-2-6-18(19(16)21-13-14)25(23,24)22-10-7-15(8-11-22)17-5-3-9-20-17;/h2,4,6,12-13,15,17,20H,3,5,7-11H2,1H3;1H.
What are the key properties of 3-methyl-8-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylquinoline;hydrochloride?
3-methyl-8-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylquinoline;hydrochloride has a molecular weight of 395.96 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylquinoline;hydrochloride is sourced from PubChem (CID 120714217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).