8-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylquinoline

C18H16FN3O3S — CID 171701848

IUPAC8-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylquinoline
SMILESO=S(=O)(c1cccc2cccnc12)N1CCC(Oc2cccc(F)n2)C1
InChIInChI=1S/C18H16FN3O3S/c19-16-7-2-8-17(21-16)25-14-9-11-22(12-14)26(23,24)15-6-1-4-13-5-3-10-20-18(13)15/h1-8,10,14H,9,11-12H2
InChIKeyQIKOSVWAOSWPQW-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.61
Rot. Bonds4

About 8-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylquinoline

8-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylquinoline (PubChem CID 171701848) has the molecular formula C18H16FN3O3S and a molecular weight of 373.41 g/mol. Its IUPAC name is 8-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylquinoline.

Molecular Properties

Compound Name8-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylquinoline
PubChem CID171701848
Molecular FormulaC18H16FN3O3S
Molecular Weight373.41 g/mol
Exact Mass373.09
IUPAC Name8-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylquinoline
SMILESO=S(=O)(c1cccc2cccnc12)N1CCC(Oc2cccc(F)n2)C1
InChIInChI=1S/C18H16FN3O3S/c19-16-7-2-8-17(21-16)25-14-9-11-22(12-14)26(23,24)15-6-1-4-13-5-3-10-20-18(13)15/h1-8,10,14H,9,11-12H2
InChIKeyQIKOSVWAOSWPQW-UHFFFAOYSA-N
XLogP2.61
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

8-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylquinoline
CID 91627435
8-(3-pyrazin-2-yloxypiperidin-1-yl)sulfonylquinoline
CID 91627937
(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-amine
CID 119962398
8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
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)oxyphthalazine
CID 90560503
1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)ethanamine
CID 119974617
8-[(3S)-1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]oxyquinoline
CID 124759299
2-(1-cyclohexylsulfonylpiperidin-4-yl)oxy-6-fluoropyridine
CID 172893200
8-(4-pyrrol-1-ylpiperidin-1-yl)sulfonylquinoline
CID 2809715
8-[(3S)-1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoline
CID 124760482

Frequently Asked Questions

What is the IUPAC name of 8-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylquinoline?
The IUPAC name of 8-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylquinoline (CID 171701848) is 8-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylquinoline.
What is the SMILES notation for 8-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylquinoline?
The canonical SMILES for 8-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylquinoline is O=S(=O)(c1cccc2cccnc12)N1CCC(Oc2cccc(F)n2)C1.
What is the InChIKey of 8-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylquinoline?
The InChIKey is QIKOSVWAOSWPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S/c19-16-7-2-8-17(21-16)25-14-9-11-22(12-14)26(23,24)15-6-1-4-13-5-3-10-20-18(13)15/h1-8,10,14H,9,11-12H2.
What are the key properties of 8-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylquinoline?
8-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylquinoline has a molecular weight of 373.41 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]sulfonylquinoline is sourced from PubChem (CID 171701848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).