Basic information
- Standard SMILES
CNC(=O)C(c1ccc(-c2ccc3cccnc3c2)cc1F)N1CCC2(CC1)CN(C1CC1)C(=O)CO2- InChIKey
SXLYKVRZNSYRQA-UHFFFAOYSA-N- Molecular formula
- C29H31FN4O3
- Average molar mass
- 502.6 g/mol
- Monoisotopic mass
- 502.23801903
Names & identifiers
- Preferred name
- (+)-2-(4-cyclopropyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-(2-fluoro-4-(quinolin-7-yl)phenyl)-N-methylacetamide
- IUPAC
- 2-(4-cyclopropyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-(2-fluoro-4-quinolin-7-ylphenyl)-N-methylacetamide
Names & synonyms
SCHEMBL14720502SXLYKVRZNSYRQA-UHFFFAOYSA-N(+)-2-(4-cyclopropyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2-(2-fluoro-4-(quinolin-7-yl)phenyl)-N-methylacetamide
Database identifiers
- PubChem CID
- 71270997
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 845
Related reactions
1 records
Compound notes
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