Basic information
- Standard SMILES
COc1ccccc1N1CCN(CCCCOC(=O)c2ccc3c(c2)NC(=O)CC3)CC1.Cl- InChIKey
QKELHSQDDXWYKG-UHFFFAOYSA-N- Molecular formula
- C25H32ClN3O4
- Average molar mass
- 474 g/mol
- Monoisotopic mass
- 473.2081342
Names & identifiers
- Preferred name
- 4-(4-(2-Methoxyphenyl)piperazin-1-yl)butyl 2-oxo-1,2,3,4-tetrahydroquinoline-7-carboxylate hydrochloride
- IUPAC
- 4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl 2-oxo-3,4-dihydro-1H-quinoline-7-carboxylate;hydrochloride
Names & synonyms
SCHEMBL4890669QKELHSQDDXWYKG-UHFFFAOYSA-N4-(4-(2-Methoxyphenyl)piperazin-1-yl)butyl 2-oxo-1,2,3,4-tetrahydroquinoline-7-carboxylate hydrochloride
Database identifiers
- PubChem CID
- 57420181
Properties
Computed structural properties
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 622
Related reactions
1 records
Compound notes
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