Basic information
- Standard SMILES
Cn1c(CN2CCN(C(C)(C)C)CC2)nc2c(N3CCOCC3)nc(-c3ccnc4ccccc34)nc21- InChIKey
PRJFVLQOYXKKOR-UHFFFAOYSA-N- Molecular formula
- C28H36N8O
- Average molar mass
- 500.6 g/mol
Names & identifiers
- Preferred name
- 4-(8-((4-tert-butylpiperazin-1-yl)methyl)-9-methyl-2-(quinolin-4-yl)-9H-purin-6-yl)morpholine
- IUPAC
- 4-[8-[(4-tert-butylpiperazin-1-yl)methyl]-9-methyl-2-quinolin-4-ylpurin-6-yl]morpholine
Names & synonyms
SCHEMBL2672547PRJFVLQOYXKKOR-UHFFFAOYSA-N4-(8-((4-tert-butylpiperazin-1-yl)methyl)-9-methyl-2-(quinolin-4-yl)-9H-purin-6-yl)morpholine
Database identifiers
- PubChem CID
- 59605903
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 749
Related reactions
3 records
Compound notes
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