8-(4-pyrrol-1-ylpiperidin-1-yl)sulfonylquinoline

C18H19N3O2S — CID 2809715

IUPAC8-(4-pyrrol-1-ylpiperidin-1-yl)sulfonylquinoline
SMILESO=S(=O)(c1cccc2cccnc12)N1CCC(n2cccc2)CC1
InChIInChI=1S/C18H19N3O2S/c22-24(23,17-7-3-5-15-6-4-10-19-18(15)17)21-13-8-16(9-14-21)20-11-1-2-12-20/h1-7,10-12,16H,8-9,13-14H2
InChIKeyRYZWGJJTCJYEMZ-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.06
Rot. Bonds3

About 8-(4-pyrrol-1-ylpiperidin-1-yl)sulfonylquinoline

8-(4-pyrrol-1-ylpiperidin-1-yl)sulfonylquinoline (PubChem CID 2809715) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 8-(4-pyrrol-1-ylpiperidin-1-yl)sulfonylquinoline.

Molecular Properties

Compound Name8-(4-pyrrol-1-ylpiperidin-1-yl)sulfonylquinoline
PubChem CID2809715
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name8-(4-pyrrol-1-ylpiperidin-1-yl)sulfonylquinoline
SMILESO=S(=O)(c1cccc2cccnc12)N1CCC(n2cccc2)CC1
InChIInChI=1S/C18H19N3O2S/c22-24(23,17-7-3-5-15-6-4-10-19-18(15)17)21-13-8-16(9-14-21)20-11-1-2-12-20/h1-7,10-12,16H,8-9,13-14H2
InChIKeyRYZWGJJTCJYEMZ-UHFFFAOYSA-N
XLogP3.06
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 4173018
8-piperidin-1-ylsulfonylquinoline
CID 768759
(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-amine
CID 119962398
1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)ethanamine
CID 119974617
8-[4-(pyridin-2-ylmethyl)piperidin-1-yl]sulfonylquinoline
CID 99816764
8-[(4-cyclobutyl-1,4-diazepan-1-yl)sulfonyl]quinoline
CID 131703897
8-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]sulfonylquinoline
CID 20930309
N-[(1-quinolin-8-ylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
CID 119990230
3-[(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 99991977
8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)quinoline
CID 22202524
N-methyl-1-(1-quinolin-8-ylsulfonylpyrrolidin-3-yl)methanamine
CID 119977492
1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one
CID 3680527

Frequently Asked Questions

What is the IUPAC name of 8-(4-pyrrol-1-ylpiperidin-1-yl)sulfonylquinoline?
The IUPAC name of 8-(4-pyrrol-1-ylpiperidin-1-yl)sulfonylquinoline (CID 2809715) is 8-(4-pyrrol-1-ylpiperidin-1-yl)sulfonylquinoline.
What is the SMILES notation for 8-(4-pyrrol-1-ylpiperidin-1-yl)sulfonylquinoline?
The canonical SMILES for 8-(4-pyrrol-1-ylpiperidin-1-yl)sulfonylquinoline is O=S(=O)(c1cccc2cccnc12)N1CCC(n2cccc2)CC1.
What is the InChIKey of 8-(4-pyrrol-1-ylpiperidin-1-yl)sulfonylquinoline?
The InChIKey is RYZWGJJTCJYEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c22-24(23,17-7-3-5-15-6-4-10-19-18(15)17)21-13-8-16(9-14-21)20-11-1-2-12-20/h1-7,10-12,16H,8-9,13-14H2.
What are the key properties of 8-(4-pyrrol-1-ylpiperidin-1-yl)sulfonylquinoline?
8-(4-pyrrol-1-ylpiperidin-1-yl)sulfonylquinoline has a molecular weight of 341.44 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-pyrrol-1-ylpiperidin-1-yl)sulfonylquinoline is sourced from PubChem (CID 2809715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).