Basic information
- Standard SMILES
CN1CCN(Cc2cc(=O)c(OCCCCCOc3ccnc4c(C(F)(F)F)cccc34)co2)CC1- InChIKey
VBGCSQYZCDBPFD-UHFFFAOYSA-N- Molecular formula
- C26H30F3N3O4
- Average molar mass
- 505.5 g/mol
Names & identifiers
- Preferred name
- 5-(5-(8-(Trifluoromethyl)quinolin-4-yloxy)pentyloxy)-2-((4-methylpiperazin-1-yl)methyl)-4H-pyran-4-one
- IUPAC
- 2-[(4-methylpiperazin-1-yl)methyl]-5-[5-[8-(trifluoromethyl)quinolin-4-yl]oxypentoxy]pyran-4-one
Names & synonyms
5-(5-(8-(Trifluoromethyl)quinolin-4-yloxy)pentyloxy)-2-((4-methylpiperazin-1-yl)methyl)-4H-pyran-4-oneSCHEMBL41678215-(5-(8-(Trifluoromethyl)quinolin-4-yloxy)pentyloxy)-2-((4-methyl piperazin-1-yl)methyl)-4H-pyran-4-one
Database identifiers
- PubChem CID
- 10074885
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 796
Related reactions
1 records
Compound notes
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