6-(1-azabicyclo[2.2.2]octan-3-yl)quinoline

C16H18N2 — CID 127038223

IUPAC6-(1-azabicyclo[2.2.2]octan-3-yl)quinoline
SMILESc1cnc2ccc(C3CN4CCC3CC4)cc2c1
InChIInChI=1S/C16H18N2/c1-2-14-10-13(3-4-16(14)17-7-1)15-11-18-8-5-12(15)6-9-18/h1-4,7,10,12,15H,5-6,8-9,11H2
InChIKeyXZVMNMZLBUKKAO-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.04
Rot. Bonds1

About 6-(1-azabicyclo[2.2.2]octan-3-yl)quinoline

6-(1-azabicyclo[2.2.2]octan-3-yl)quinoline (PubChem CID 127038223) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 6-(1-azabicyclo[2.2.2]octan-3-yl)quinoline.

Molecular Properties

Compound Name6-(1-azabicyclo[2.2.2]octan-3-yl)quinoline
PubChem CID127038223
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name6-(1-azabicyclo[2.2.2]octan-3-yl)quinoline
SMILESc1cnc2ccc(C3CN4CCC3CC4)cc2c1
InChIInChI=1S/C16H18N2/c1-2-14-10-13(3-4-16(14)17-7-1)15-11-18-8-5-12(15)6-9-18/h1-4,7,10,12,15H,5-6,8-9,11H2
InChIKeyXZVMNMZLBUKKAO-UHFFFAOYSA-N
XLogP3.04
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-quinolin-6-ylcyclohexan-1-ol
CID 81223909
6-[2-(4-methylphenyl)cyclobutyl]quinoline
CID 172635808
2-quinolin-6-ylcyclobutane-1-carboxylic acid
CID 81221529
6-(2-ethylcyclopropyl)quinoline
CID 123627698
3-phenyl-1-azabicyclo[2.2.2]octane
CID 604334
1,4-diazabicyclo[3.2.1]octan-4-yl(quinolin-6-yl)methanone
CID 127041506
6-(1-phenylpyrrolidin-2-yl)quinoline
CID 138973287
6-[(2R)-1-propylpyrrolidin-2-yl]quinoline
CID 124501057
6-(1-propylpyrrolidin-2-yl)quinoline
CID 102544425
6-(1-ethylpiperidin-2-yl)quinoline
CID 102544431
N-methyl-1-(2-quinolin-6-ylcyclopentyl)methanamine
CID 81222583
6-(3-bromocyclopentyl)quinoline
CID 81221641

Frequently Asked Questions

What is the IUPAC name of 6-(1-azabicyclo[2.2.2]octan-3-yl)quinoline?
The IUPAC name of 6-(1-azabicyclo[2.2.2]octan-3-yl)quinoline (CID 127038223) is 6-(1-azabicyclo[2.2.2]octan-3-yl)quinoline.
What is the SMILES notation for 6-(1-azabicyclo[2.2.2]octan-3-yl)quinoline?
The canonical SMILES for 6-(1-azabicyclo[2.2.2]octan-3-yl)quinoline is c1cnc2ccc(C3CN4CCC3CC4)cc2c1.
What is the InChIKey of 6-(1-azabicyclo[2.2.2]octan-3-yl)quinoline?
The InChIKey is XZVMNMZLBUKKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-2-14-10-13(3-4-16(14)17-7-1)15-11-18-8-5-12(15)6-9-18/h1-4,7,10,12,15H,5-6,8-9,11H2.
What are the key properties of 6-(1-azabicyclo[2.2.2]octan-3-yl)quinoline?
6-(1-azabicyclo[2.2.2]octan-3-yl)quinoline has a molecular weight of 238.33 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-azabicyclo[2.2.2]octan-3-yl)quinoline is sourced from PubChem (CID 127038223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).