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N-(2-pyridinylmethyl)-N'-(4-methoxy-5,6,7,8-tetrahydro-8-quinolinyl)-1,4-benzenedimethanamine

HCID 22018571
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccnc2c1CCCC2NCc1ccc(CNCc2ccccn2)cc1
InChIKey
NMXDBGSRRGIANY-UHFFFAOYSA-N
Molecular formula
C24H28N4O
Average molar mass
388.5 g/mol

Names & identifiers

Preferred name
N-(2-pyridinylmethyl)-N'-(4-methoxy-5,6,7,8-tetrahydro-8-quinolinyl)-1,4-benzenedimethanamine
IUPAC
4-methoxy-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine

Names & synonyms

SCHEMBL4066721NMXDBGSRRGIANY-UHFFFAOYSA-NN-(2-pyridinylmethyl)-N'-(4-methoxy-5,6,7,8-tetrahydro-8-quinolinyl)-1,4-benzenedimethanamine

Database identifiers

PubChem CID
22018571

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
59.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
29
Formal charge
0
Complexity
468

Related reactions

5 records
New reaction record
HRID 7134 reaction equation
HRID 7134As productuspto-grants-2006_08
HRID 292764 reaction equation
HRID 292764As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 747334 reaction equation
HRID 747334As productuspto-grants-2008_07
HRID 983620 reaction equation
HRID 983620As productuspto-grants-2005_03
HRID 1135867 reaction equation
HRID 1135867As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes