N-quinolin-3-ylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine

C18H20N4O — CID 137211245

IUPACN-quinolin-3-ylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine
SMILESc1ccc2ncc(/N=C3/CC4(CN5CCC4CC5)ON3)cc2c1
InChIInChI=1S/C18H20N4O/c1-2-4-16-13(3-1)9-15(11-19-16)20-17-10-18(23-21-17)12-22-7-5-14(18)6-8-22/h1-4,9,11,14H,5-8,10,12H2,(H,20,21)
InChIKeyVCUYLXWKZFCGMF-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.65
Rot. Bonds1

About N-quinolin-3-ylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine

N-quinolin-3-ylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine (PubChem CID 137211245) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is N-quinolin-3-ylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine.

Molecular Properties

Compound NameN-quinolin-3-ylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine
PubChem CID137211245
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC NameN-quinolin-3-ylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine
SMILESc1ccc2ncc(/N=C3/CC4(CN5CCC4CC5)ON3)cc2c1
InChIInChI=1S/C18H20N4O/c1-2-4-16-13(3-1)9-15(11-19-16)20-17-10-18(23-21-17)12-22-7-5-14(18)6-8-22/h1-4,9,11,14H,5-8,10,12H2,(H,20,21)
InChIKeyVCUYLXWKZFCGMF-UHFFFAOYSA-N
XLogP2.65
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(1-methylindazol-5-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine
CID 137211109
(5R)-N-(7-fluoroisoquinolin-3-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine
CID 137211236
(5R)-N-(4-chloro-3-cyclopropylphenyl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine;hydrochloride
CID 137211220
(5R)-N-[6-(trifluoromethyl)isoquinolin-3-yl]spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine
CID 137211217
N-[3-chloro-4-(trifluoromethyl)phenyl]spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine
CID 137211147
3'-quinolin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]
CID 118051182
N-[2-(trifluoromethyl)-1-benzothiophen-6-yl]spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine
CID 137211226
N-(3-methylthieno[2,3-b]pyridin-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine
CID 137192450
N-(3-methyl-[1,2]thiazolo[4,5-c]pyridin-6-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine
CID 137211216
(3S)-spiro[1-azabicyclo[2.2.2]octane-3,2'-1H-[1,3]oxazolo[3,2-a]benzimidazole]
CID 121320376
(3R)-5'-(1-phenylethenyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
CID 69065195
3-(1H-benzimidazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
CID 68635284

Frequently Asked Questions

What is the IUPAC name of N-quinolin-3-ylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine?
The IUPAC name of N-quinolin-3-ylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine (CID 137211245) is N-quinolin-3-ylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine.
What is the SMILES notation for N-quinolin-3-ylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine?
The canonical SMILES for N-quinolin-3-ylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine is c1ccc2ncc(/N=C3/CC4(CN5CCC4CC5)ON3)cc2c1.
What is the InChIKey of N-quinolin-3-ylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine?
The InChIKey is VCUYLXWKZFCGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-2-4-16-13(3-1)9-15(11-19-16)20-17-10-18(23-21-17)12-22-7-5-14(18)6-8-22/h1-4,9,11,14H,5-8,10,12H2,(H,20,21).
What are the key properties of N-quinolin-3-ylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine?
N-quinolin-3-ylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine has a molecular weight of 308.38 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-3-ylspiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine is sourced from PubChem (CID 137211245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).