8-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]sulfonylquinoline

C18H20N4O2S — CID 121188658

IUPAC8-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]sulfonylquinoline
SMILESCn1ccc(C2CCCN(S(=O)(=O)c3cccc4cccnc34)C2)n1
InChIInChI=1S/C18H20N4O2S/c1-21-12-9-16(20-21)15-7-4-11-22(13-15)25(23,24)17-8-2-5-14-6-3-10-19-18(14)17/h2-3,5-6,8-10,12,15H,4,7,11,13H2,1H3
InChIKeyDFWWEAQPQHXGNA-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.54
Rot. Bonds3

About 8-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]sulfonylquinoline

8-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]sulfonylquinoline (PubChem CID 121188658) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 8-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]sulfonylquinoline.

Molecular Properties

Compound Name8-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]sulfonylquinoline
PubChem CID121188658
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name8-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]sulfonylquinoline
SMILESCn1ccc(C2CCCN(S(=O)(=O)c3cccc4cccnc34)C2)n1
InChIInChI=1S/C18H20N4O2S/c1-21-12-9-16(20-21)15-7-4-11-22(13-15)25(23,24)17-8-2-5-14-6-3-10-19-18(14)17/h2-3,5-6,8-10,12,15H,4,7,11,13H2,1H3
InChIKeyDFWWEAQPQHXGNA-UHFFFAOYSA-N
XLogP2.54
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-methylpyrazol-3-yl)-1-naphthalen-1-ylsulfonylpiperidine
CID 121188695
2-pyridin-2-yl-5-[(3R)-1-quinolin-8-ylsulfonylpiperidin-3-yl]-1,3,4-oxadiazole
CID 92577744
8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)quinoline
CID 22202524
8-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylquinoline
CID 91946901
2-pyrazin-2-yl-5-[(3S)-1-quinolin-8-ylsulfonylpiperidin-3-yl]-1,3,4-oxadiazole
CID 92572274
N-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanamine
CID 119960917
8-piperidin-1-ylsulfonylquinoline
CID 768759
(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-amine
CID 119962398
8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
1-[3-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 129357113
ethyl 1-quinolin-8-ylsulfonylpiperidine-3-carboxylate
CID 2917197
8-[(4-cyclobutyl-1,4-diazepan-1-yl)sulfonyl]quinoline
CID 131703897

Frequently Asked Questions

What is the IUPAC name of 8-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]sulfonylquinoline?
The IUPAC name of 8-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]sulfonylquinoline (CID 121188658) is 8-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]sulfonylquinoline.
What is the SMILES notation for 8-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]sulfonylquinoline?
The canonical SMILES for 8-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]sulfonylquinoline is Cn1ccc(C2CCCN(S(=O)(=O)c3cccc4cccnc34)C2)n1.
What is the InChIKey of 8-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]sulfonylquinoline?
The InChIKey is DFWWEAQPQHXGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-21-12-9-16(20-21)15-7-4-11-22(13-15)25(23,24)17-8-2-5-14-6-3-10-19-18(14)17/h2-3,5-6,8-10,12,15H,4,7,11,13H2,1H3.
What are the key properties of 8-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]sulfonylquinoline?
8-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]sulfonylquinoline has a molecular weight of 356.45 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]sulfonylquinoline is sourced from PubChem (CID 121188658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).