Basic information
- Standard SMILES
CC(O)C1CCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1- InChIKey
VXXQDDCUNPNSAM-UHFFFAOYSA-N- Molecular formula
- C23H27N5O2
- Average molar mass
- 405.5 g/mol
Names & identifiers
- Preferred name
- 1-(1-(3-((1-(Quinolin-2-yl)azetidin-3-yl)oxy)pyrazin-2-yl)piperidin-4-yl)ethanol
- IUPAC
- 1-[1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-yl]ethanol
Names & synonyms
SCHEMBL2630726CHEMBL3664268BDBM98938VXXQDDCUNPNSAM-UHFFFAOYSA-NUS8497265, 3711-(1-(3-((1-(quinolin-2-yl)azetidin-3-yl)oxy)pyrazin-2-yl)piperidin-4-yl)ethanol
Database identifiers
- PubChem CID
- 58547876
- ChEMBL
CHEMBL3664268
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 552
Related reactions
3 records
Compound notes
Loading…