(10aS)-10,10a-Dihydro-7-hydroxy-2-[2-(1-piperidinyl)ethyl]imidazo[1,5-b]isoquinoline-1,3(2H,5H)-dione
Basic information
- CAS
869002-66-4- Standard SMILES
O=C1[C@@H]2Cc3ccc(O)cc3CN2C(=O)N1CCN1CCCCC1- InChIKey
GSXRASCGXBFYRC-INIZCTEOSA-N- Molecular formula
- C18H23N3O3
- Average molar mass
- 329.4 g/mol
- Monoisotopic mass
- 329.1739416
Names & identifiers
- Preferred name
- (10aS)-10,10a-Dihydro-7-hydroxy-2-[2-(1-piperidinyl)ethyl]imidazo[1,5-b]isoquinoline-1,3(2H,5H)-dione
- IUPAC
- (10aS)-7-hydroxy-2-(2-piperidin-1-ylethyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione
Names & synonyms
DTXSID301113093(10aS)-10,10a-Dihydro-7-hydroxy-2-[2-(1-piperidinyl)ethyl]imidazo[1,5-b]isoquinoline-1,3(2H,5H)-dione869002-66-4(10aS)-7-Hydroxy-2-[2-(piperidin-1-yl)ethyl]-10,10a-dihydroimidazo[1,5-b]isoquinoline-1,3(2H,5H)-dione
Database identifiers
- CAS
869002-66-4- PubChem CID
- 44403249
- DTXSID
DTXSID301113093- ChEMBL
CHEMBL373271
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 506
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…