1-(9-Naphthalen-2-yl-7,9-diaza-bicyclo[4.2.2]dec-3-en-7-yl)-3-(quinolin-5-yloxy)-propan-2-ol

HCID 69232014
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Basic information

Standard SMILES
OC(COc1cccc2ncccc12)CN1CC2CC=CCC1CN2c1ccc2ccccc2c1
InChIKey
PPOJPRNZMUBYDA-UHFFFAOYSA-N
Molecular formula
C30H31N3O2
Average molar mass
465.6 g/mol
Monoisotopic mass
465.24162724

Names & identifiers

Preferred name
1-(9-Naphthalen-2-yl-7,9-diaza-bicyclo[4.2.2]dec-3-en-7-yl)-3-(quinolin-5-yloxy)-propan-2-ol
IUPAC
1-(9-naphthalen-2-yl-7,9-diazabicyclo[4.2.2]dec-3-en-7-yl)-3-quinolin-5-yloxypropan-2-ol

Names & synonyms

SCHEMBL4894067PPOJPRNZMUBYDA-UHFFFAOYSA-N1-(9-Naphthalen-2-yl-7,9-diaza-bicyclo[4.2.2]dec-3-en-7-yl)-3-(quinolin-5-yloxy)-propan-2-ol

Database identifiers

PubChem CID
69232014

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
48.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
35

Related reactions

2 records
New reaction record

Compound notes

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