Basic information
- Standard SMILES
CC(c1ccc(-c2ccc3cccnc3c2)cc1)N1CCC2(CC1)CN(C1CC1)C(=O)CO2- InChIKey
BQDYVCDTTGKUHT-UHFFFAOYSA-N- Molecular formula
- C28H31N3O2
- Average molar mass
- 441.6 g/mol
Names & identifiers
- Preferred name
- 4-Cyclopropyl-9-(1-(4-(quinolin-7-yl)phenyl)ethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
- IUPAC
- 4-cyclopropyl-9-[1-(4-quinolin-7-ylphenyl)ethyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
Names & synonyms
SCHEMBL14720226BQDYVCDTTGKUHT-UHFFFAOYSA-N4-cyclopropyl-9-(1-(4-(quinolin-7-yl)phenyl)ethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
Database identifiers
- PubChem CID
- 71270802
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 45.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 693
Related reactions
1 records
Compound notes
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