(5R)-3-quinolin-2-ylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one

C18H19N3O2 — CID 11266858

IUPAC(5R)-3-quinolin-2-ylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
SMILESO=C1O[C@]2(CN3CCC2CC3)CN1c1ccc2ccccc2n1
InChIInChI=1S/C18H19N3O2/c22-17-21(16-6-5-13-3-1-2-4-15(13)19-16)12-18(23-17)11-20-9-7-14(18)8-10-20/h1-6,14H,7-12H2/t18-/m1/s1
InChIKeyOZEYXJRGJWZYEH-GOSISDBHSA-N
MW309.37 g/mol
LogP2.66
Rot. Bonds1

About (5R)-3-quinolin-2-ylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one

(5R)-3-quinolin-2-ylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one (PubChem CID 11266858) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is (5R)-3-quinolin-2-ylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one.

Molecular Properties

Compound Name(5R)-3-quinolin-2-ylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
PubChem CID11266858
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name(5R)-3-quinolin-2-ylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
SMILESO=C1O[C@]2(CN3CCC2CC3)CN1c1ccc2ccccc2n1
InChIInChI=1S/C18H19N3O2/c22-17-21(16-6-5-13-3-1-2-4-15(13)19-16)12-18(23-17)11-20-9-7-14(18)8-10-20/h1-6,14H,7-12H2/t18-/m1/s1
InChIKeyOZEYXJRGJWZYEH-GOSISDBHSA-N
XLogP2.66
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-quinolin-2-ylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one?
The IUPAC name of (5R)-3-quinolin-2-ylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one (CID 11266858) is (5R)-3-quinolin-2-ylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one.
What is the SMILES notation for (5R)-3-quinolin-2-ylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one?
The canonical SMILES for (5R)-3-quinolin-2-ylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one is O=C1O[C@]2(CN3CCC2CC3)CN1c1ccc2ccccc2n1.
What is the InChIKey of (5R)-3-quinolin-2-ylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one?
The InChIKey is OZEYXJRGJWZYEH-GOSISDBHSA-N. The full InChI is InChI=1S/C18H19N3O2/c22-17-21(16-6-5-13-3-1-2-4-15(13)19-16)12-18(23-17)11-20-9-7-14(18)8-10-20/h1-6,14H,7-12H2/t18-/m1/s1.
What are the key properties of (5R)-3-quinolin-2-ylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one?
(5R)-3-quinolin-2-ylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one has a molecular weight of 309.37 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-quinolin-2-ylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one is sourced from PubChem (CID 11266858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).