Basic information
- Standard SMILES
O=C(O)CC(c1ccc(-c2ccc3cccnc3c2)cc1)N1CCC2(CC1)CN(C1CC1)C(=O)CO2- InChIKey
RWTDADOILACFPR-UHFFFAOYSA-N- Molecular formula
- C29H31N3O4
- Average molar mass
- 485.6 g/mol
- Monoisotopic mass
- 485.23145648
Names & identifiers
- Preferred name
- 3-(4-Cyclopropyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-3-(4-(quinolin-7-yl)phenyl)propanoic acid
- IUPAC
- 3-(4-cyclopropyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-3-(4-quinolin-7-ylphenyl)propanoic acid
Names & synonyms
SCHEMBL14720158RWTDADOILACFPR-UHFFFAOYSA-N3-(4-cyclopropyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-3-(4-(quinolin-7-yl)phenyl)propanoic acid
Database identifiers
- PubChem CID
- 71270755
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 83 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 800
Related reactions
2 records
Compound notes
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