2-(2-Azabicyclo[2.2.2]oct-2-yl)quinolin-6-amine

HCID 22018930

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Nc1ccc2nc(N3CC4CCC3CC4)ccc2c1
InChIKey: GPIIKNOYEJOOJP-UHFFFAOYSA-N
Molecular formula: C16H19N3
Average molar mass: 253.34 g/mol
Monoisotopic mass: 253.15789762

Names & identifiers

Preferred name: 2-(2-Azabicyclo[2.2.2]oct-2-yl)quinolin-6-amine
IUPAC: 2-(2-azabicyclo[2.2.2]octan-2-yl)quinolin-6-amine

Names & synonyms

SCHEMBL5873493GPIIKNOYEJOOJP-UHFFFAOYSA-N2-(2-azabicyclo[2.2.2]oct-2-yl)quinolin-6-amine

Database identifiers

PubChem CID: 22018930

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 42.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 19
Formal charge: 0
Complexity: 324

Related reactions

6 records

New reaction record

HRID 6800 reaction equation

HRID 6800As productuspto-grants-2006_08

HRID 6802 reaction equation

HRID 6802As reactantuspto-grants-2006_08

HRID 6803 reaction equation

HRID 6803As reactantuspto-grants-2006_08

HRID 148516 reaction equation

HRID 148516As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 152377 reaction equation

HRID 152377As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 799624 reaction equation

HRID 799624As productTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

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