3'-quinolin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]

C17H18N4O — CID 118051182

IUPAC3'-quinolin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]
SMILESc1ccc2ncc(C3=NC4(CN5CCC4CC5)ON3)cc2c1
InChIInChI=1S/C17H18N4O/c1-2-4-15-12(3-1)9-13(10-18-15)16-19-17(22-20-16)11-21-7-5-14(17)6-8-21/h1-4,9-10,14H,5-8,11H2,(H,19,20)
InChIKeyPRAPVPUICMKCNY-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.94
Rot. Bonds1

About 3'-quinolin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]

3'-quinolin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole] (PubChem CID 118051182) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 3'-quinolin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole].

Molecular Properties

Compound Name3'-quinolin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]
PubChem CID118051182
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name3'-quinolin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]
SMILESc1ccc2ncc(C3=NC4(CN5CCC4CC5)ON3)cc2c1
InChIInChI=1S/C17H18N4O/c1-2-4-15-12(3-1)9-13(10-18-15)16-19-17(22-20-16)11-21-7-5-14(17)6-8-21/h1-4,9-10,14H,5-8,11H2,(H,19,20)
InChIKeyPRAPVPUICMKCNY-UHFFFAOYSA-N
XLogP1.94
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3'-quinolin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole] with MolForge

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Related Compounds

3'-(1-methylindol-6-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]
CID 118051246
(3R)-3'-(6-fluoro-1-benzothiophen-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]
CID 118051353
N-quinolin-3-ylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine
CID 137211245
(3R)-5-quinolin-3-ylspiro[1,2-dihydro-1,2,4-triazole-3,2'-bicyclo[2.2.2]octane]
CID 118051580
3-[4-(4-fluorophenyl)phenyl]quinoline
CID 171056588
3-anthracen-9-ylquinoline
CID 170654314
3-(2,6-dichloro-4-pyridinyl)quinoline
CID 86078303
3-(2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)quinoline
CID 123538110
3-(6-piperazin-1-ylpyrimidin-4-yl)quinoline
CID 170692346
5'-(2-fluorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
CID 11404096
(3R)-5'-(2-fluorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
CID 11483685
3-[10-[4-[4-(10-quinolin-3-ylanthracen-9-yl)phenyl]phenyl]anthracen-9-yl]quinoline
CID 59861500

Frequently Asked Questions

What is the IUPAC name of 3'-quinolin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]?
The IUPAC name of 3'-quinolin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole] (CID 118051182) is 3'-quinolin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole].
What is the SMILES notation for 3'-quinolin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]?
The canonical SMILES for 3'-quinolin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole] is c1ccc2ncc(C3=NC4(CN5CCC4CC5)ON3)cc2c1.
What is the InChIKey of 3'-quinolin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]?
The InChIKey is PRAPVPUICMKCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-2-4-15-12(3-1)9-13(10-18-15)16-19-17(22-20-16)11-21-7-5-14(17)6-8-21/h1-4,9-10,14H,5-8,11H2,(H,19,20).
What are the key properties of 3'-quinolin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]?
3'-quinolin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole] has a molecular weight of 294.36 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-quinolin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole] is sourced from PubChem (CID 118051182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).