Basic information
- Standard SMILES
COC(=O)COc1ccc(C(=O)CN2CCN(c3cc(C)nc4ccccc34)CC2)cc1- InChIKey
ULQBMRGIGYDBBI-UHFFFAOYSA-N- Molecular formula
- C25H27N3O4
- Average molar mass
- 433.5 g/mol
- Monoisotopic mass
- 433.20015635
Names & identifiers
- Preferred name
- Methyl 2-[4-[2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]acetyl]phenoxy]acetate
- IUPAC
- methyl 2-[4-[2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]acetyl]phenoxy]acetate
Names & synonyms
SCHEMBL7402473
Database identifiers
- PubChem CID
- 18924116
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 629
Related reactions
2 records
Compound notes
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