3-(1-methylisoquinolin-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine

C19H24N4O — CID 66724664

IUPAC3-(1-methylisoquinolin-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
SMILESCc1nc(N2CC3(CN4CCC3CC4)OC2N)cc2ccccc12
InChIInChI=1S/C19H24N4O/c1-13-16-5-3-2-4-14(16)10-17(21-13)23-12-19(24-18(23)20)11-22-8-6-15(19)7-9-22/h2-5,10,15,18H,6-9,11-12,20H2,1H3
InChIKeyFBLYQHPDIYGQKF-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.09
Rot. Bonds1

About 3-(1-methylisoquinolin-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine

3-(1-methylisoquinolin-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine (PubChem CID 66724664) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 3-(1-methylisoquinolin-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine.

Molecular Properties

Compound Name3-(1-methylisoquinolin-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
PubChem CID66724664
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name3-(1-methylisoquinolin-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
SMILESCc1nc(N2CC3(CN4CCC3CC4)OC2N)cc2ccccc12
InChIInChI=1S/C19H24N4O/c1-13-16-5-3-2-4-14(16)10-17(21-13)23-12-19(24-18(23)20)11-22-8-6-15(19)7-9-22/h2-5,10,15,18H,6-9,11-12,20H2,1H3
InChIKeyFBLYQHPDIYGQKF-UHFFFAOYSA-N
XLogP2.09
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1-methylisoquinolin-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(6-chloro-1-methylisoquinolin-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
CID 66724721
3-(5-chloroisoquinolin-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
CID 66724751
3-(1H-benzimidazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
CID 68635284
3-[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
CID 66724803
3-[6-(4-chlorophenyl)pyrimidin-4-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
CID 66724782
3-(6-fluoro-1H-indazol-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
CID 66724695
3-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
CID 66724611
3-[5-(difluoromethoxy)pyrimidin-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
CID 66724722
(3S)-2'-(1H-indol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]
CID 640332
(3R)-2'-(pyridin-2-ylmethyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]
CID 58081871
(3S)-spiro[1-azabicyclo[2.2.2]octane-3,2'-1H-[1,3]oxazolo[3,2-a]benzimidazole]
CID 121320376
2'-(1-benzothiophen-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole];hydrate;dihydrochloride
CID 70048887

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylisoquinolin-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?
The IUPAC name of 3-(1-methylisoquinolin-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine (CID 66724664) is 3-(1-methylisoquinolin-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine.
What is the SMILES notation for 3-(1-methylisoquinolin-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?
The canonical SMILES for 3-(1-methylisoquinolin-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine is Cc1nc(N2CC3(CN4CCC3CC4)OC2N)cc2ccccc12.
What is the InChIKey of 3-(1-methylisoquinolin-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?
The InChIKey is FBLYQHPDIYGQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-13-16-5-3-2-4-14(16)10-17(21-13)23-12-19(24-18(23)20)11-22-8-6-15(19)7-9-22/h2-5,10,15,18H,6-9,11-12,20H2,1H3.
What are the key properties of 3-(1-methylisoquinolin-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?
3-(1-methylisoquinolin-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine has a molecular weight of 324.43 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylisoquinolin-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine is sourced from PubChem (CID 66724664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).