8-[3-(4-Quinolin-2-yl-piperazin-1-yl)-propoxy]-8-aza-spiro[4.5]decane-7,9-dione

HCID 14280594

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: O=C1CC2(CCCC2)CC(=O)N1OCCCN1CCN(c2ccc3ccccc3n2)CC1
InChIKey: BYFYQDNROZOLIH-UHFFFAOYSA-N
Molecular formula: C25H32N4O3
Average molar mass: 436.5 g/mol
Monoisotopic mass: 436.2474409

Names & identifiers

Preferred name: 8-[3-(4-Quinolin-2-yl-piperazin-1-yl)-propoxy]-8-aza-spiro[4.5]decane-7,9-dione
IUPAC: 8-[3-(4-quinolin-2-ylpiperazin-1-yl)propoxy]-8-azaspiro[4.5]decane-7,9-dione

Names & synonyms

CHEMBL430329SCHEMBL10519812BYFYQDNROZOLIH-UHFFFAOYSA-NBDBM500075038-[3-(4-Quinolin-2-yl-piperazin-1-yl)-propoxy]-8-aza-spiro[4.5]decane-7,9-dione8-[3-[4-(2-Quinolinyl)-1-piperazinyl]propyloxy]-8-azaspiro[4.5]decan-7,9-dione

Database identifiers

PubChem CID: 14280594
ChEMBL: CHEMBL430329
Nikkaji: J386.505C

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 66 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 6
Heavy atoms: 32
Formal charge: 0
Complexity: 652

Related reactions

3 records

New reaction record

HRID 868554As productuspto-grants-1988_10

HRID 1117945As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1761441As productuspto-grants-1989_05

Compound notes

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