3-(5-quinolin-7-ylthiophen-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one

C22H21N3O2S — CID 69058127

IUPAC3-(5-quinolin-7-ylthiophen-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
SMILESO=C1OC2(CN3CCC2CC3)CN1c1ccc(-c2ccc3cccnc3c2)s1
InChIInChI=1S/C22H21N3O2S/c26-21-25(14-22(27-21)13-24-10-7-17(22)8-11-24)20-6-5-19(28-20)16-4-3-15-2-1-9-23-18(15)12-16/h1-6,9,12,17H,7-8,10-11,13-14H2
InChIKeySEPYBTXTAUUVJM-UHFFFAOYSA-N
MW391.50 g/mol
LogP4.38
Rot. Bonds2

About 3-(5-quinolin-7-ylthiophen-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one

3-(5-quinolin-7-ylthiophen-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one (PubChem CID 69058127) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is 3-(5-quinolin-7-ylthiophen-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one.

Molecular Properties

Compound Name3-(5-quinolin-7-ylthiophen-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
PubChem CID69058127
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC Name3-(5-quinolin-7-ylthiophen-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
SMILESO=C1OC2(CN3CCC2CC3)CN1c1ccc(-c2ccc3cccnc3c2)s1
InChIInChI=1S/C22H21N3O2S/c26-21-25(14-22(27-21)13-24-10-7-17(22)8-11-24)20-6-5-19(28-20)16-4-3-15-2-1-9-23-18(15)12-16/h1-6,9,12,17H,7-8,10-11,13-14H2
InChIKeySEPYBTXTAUUVJM-UHFFFAOYSA-N
XLogP4.38
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-3-(5-pyrimidin-2-ylthiophen-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
CID 11348449
(5R)-3-[5-(furan-3-yl)thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
CID 11198302
(5S)-3-[5-[3-(pyrrolidine-1-carbonyl)phenyl]thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
CID 91238407
N,N-dimethyl-4-[5-[(5R)-2-oxospiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-yl]thiophen-2-yl]benzamide
CID 11611285
(5R)-3-(5-pyridin-3-ylthiophen-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
CID 11325305
3-(4-pyridin-4-yl-1,3-thiazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
CID 69053764
3-(5-pyridin-4-ylfuran-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
CID 69053381
(3R)-5'-(5-chlorothiophen-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
CID 10246214
4-quinolin-7-ylbenzoic acid
CID 81224662
(5R)-3-(3-bromo-1-benzothiophen-5-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
CID 11647636
3-quinolin-7-ylbenzoic acid
CID 81224892
(5R)-3-(2-chloro-1-benzothiophen-6-yl)-2-methylidenespiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]
CID 142084310

Frequently Asked Questions

What is the IUPAC name of 3-(5-quinolin-7-ylthiophen-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one?
The IUPAC name of 3-(5-quinolin-7-ylthiophen-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one (CID 69058127) is 3-(5-quinolin-7-ylthiophen-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one.
What is the SMILES notation for 3-(5-quinolin-7-ylthiophen-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one?
The canonical SMILES for 3-(5-quinolin-7-ylthiophen-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one is O=C1OC2(CN3CCC2CC3)CN1c1ccc(-c2ccc3cccnc3c2)s1.
What is the InChIKey of 3-(5-quinolin-7-ylthiophen-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one?
The InChIKey is SEPYBTXTAUUVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c26-21-25(14-22(27-21)13-24-10-7-17(22)8-11-24)20-6-5-19(28-20)16-4-3-15-2-1-9-23-18(15)12-16/h1-6,9,12,17H,7-8,10-11,13-14H2.
What are the key properties of 3-(5-quinolin-7-ylthiophen-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one?
3-(5-quinolin-7-ylthiophen-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one has a molecular weight of 391.50 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-quinolin-7-ylthiophen-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one is sourced from PubChem (CID 69058127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).