3-(4-(2-(4-Ethoxy-4-oxobutoxy)phenyl)piperazin-1-yl)propyl 2-oxo-1,2,3,4-tetrahydroquinoline-7-carboxylate
Basic information
- Standard SMILES
CCOC(=O)CCCOc1ccccc1N1CCN(CCCOC(=O)c2ccc3c(c2)NC(=O)CC3)CC1- InChIKey
DWHUZAOXTPGXBM-UHFFFAOYSA-N- Molecular formula
- C29H37N3O6
- Average molar mass
- 523.6 g/mol
- Monoisotopic mass
- 523.26823591
Names & identifiers
- Preferred name
- 3-(4-(2-(4-Ethoxy-4-oxobutoxy)phenyl)piperazin-1-yl)propyl 2-oxo-1,2,3,4-tetrahydroquinoline-7-carboxylate
- IUPAC
- 3-[4-[2-(4-ethoxy-4-oxobutoxy)phenyl]piperazin-1-yl]propyl 2-oxo-3,4-dihydro-1H-quinoline-7-carboxylate
Names & synonyms
SCHEMBL3157102DWHUZAOXTPGXBM-UHFFFAOYSA-N3-(4-(2-(4-ethoxy-4-oxobutoxy)phenyl)piperazin-1-yl)propyl 2-oxo-1,2,3,4-tetrahydroquinoline-7-carboxylate
Database identifiers
- PubChem CID
- 57420185
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 97.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 14
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 771
Related reactions
2 records
Compound notes
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