8-(3-pyrazin-2-yloxypiperidin-1-yl)sulfonylquinoline

C18H18N4O3S — CID 91627937

IUPAC8-(3-pyrazin-2-yloxypiperidin-1-yl)sulfonylquinoline
SMILESO=S(=O)(c1cccc2cccnc12)N1CCCC(Oc2cnccn2)C1
InChIInChI=1S/C18H18N4O3S/c23-26(24,16-7-1-4-14-5-2-8-21-18(14)16)22-11-3-6-15(13-22)25-17-12-19-9-10-20-17/h1-2,4-5,7-10,12,15H,3,6,11,13H2
InChIKeyIEDAGKXYWUVIAZ-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.26
Rot. Bonds4

About 8-(3-pyrazin-2-yloxypiperidin-1-yl)sulfonylquinoline

8-(3-pyrazin-2-yloxypiperidin-1-yl)sulfonylquinoline (PubChem CID 91627937) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 8-(3-pyrazin-2-yloxypiperidin-1-yl)sulfonylquinoline.

Molecular Properties

Compound Name8-(3-pyrazin-2-yloxypiperidin-1-yl)sulfonylquinoline
PubChem CID91627937
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name8-(3-pyrazin-2-yloxypiperidin-1-yl)sulfonylquinoline
SMILESO=S(=O)(c1cccc2cccnc12)N1CCCC(Oc2cnccn2)C1
InChIInChI=1S/C18H18N4O3S/c23-26(24,16-7-1-4-14-5-2-8-21-18(14)16)22-11-3-6-15(13-22)25-17-12-19-9-10-20-17/h1-2,4-5,7-10,12,15H,3,6,11,13H2
InChIKeyIEDAGKXYWUVIAZ-UHFFFAOYSA-N
XLogP2.26
TPSA85.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylquinoline
CID 171701848
8-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylquinoline
CID 91627435
2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636391
2-pyrazin-2-yl-5-[(3S)-1-quinolin-8-ylsulfonylpiperidin-3-yl]-1,3,4-oxadiazole
CID 92572274
2-[1-(benzenesulfonyl)pyrrolidin-3-yl]oxypyrazine
CID 90636351
8-piperidin-1-ylsulfonylquinoline
CID 768759
8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)quinoline
CID 22202524
(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-amine
CID 119962398
8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
N-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanamine
CID 119960917
2-[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636398
ethyl 1-quinolin-8-ylsulfonylpiperidine-3-carboxylate
CID 2917197

Frequently Asked Questions

What is the IUPAC name of 8-(3-pyrazin-2-yloxypiperidin-1-yl)sulfonylquinoline?
The IUPAC name of 8-(3-pyrazin-2-yloxypiperidin-1-yl)sulfonylquinoline (CID 91627937) is 8-(3-pyrazin-2-yloxypiperidin-1-yl)sulfonylquinoline.
What is the SMILES notation for 8-(3-pyrazin-2-yloxypiperidin-1-yl)sulfonylquinoline?
The canonical SMILES for 8-(3-pyrazin-2-yloxypiperidin-1-yl)sulfonylquinoline is O=S(=O)(c1cccc2cccnc12)N1CCCC(Oc2cnccn2)C1.
What is the InChIKey of 8-(3-pyrazin-2-yloxypiperidin-1-yl)sulfonylquinoline?
The InChIKey is IEDAGKXYWUVIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c23-26(24,16-7-1-4-14-5-2-8-21-18(14)16)22-11-3-6-15(13-22)25-17-12-19-9-10-20-17/h1-2,4-5,7-10,12,15H,3,6,11,13H2.
What are the key properties of 8-(3-pyrazin-2-yloxypiperidin-1-yl)sulfonylquinoline?
8-(3-pyrazin-2-yloxypiperidin-1-yl)sulfonylquinoline has a molecular weight of 370.43 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-pyrazin-2-yloxypiperidin-1-yl)sulfonylquinoline is sourced from PubChem (CID 91627937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).