Basic information
- Standard SMILES
COC(=O)CC1Cc2ccc(OCCCCN)cc2N(Cc2ccccc2)C1=O- InChIKey
QRZTWHHSKMTEOG-UHFFFAOYSA-N- Molecular formula
- C23H28N2O4
- Average molar mass
- 396.5 g/mol
- Monoisotopic mass
- 396.20490738
Names & identifiers
- Preferred name
- [1-Benzyl-7-(4-aminobutoxy)-2-oxo-1,2,3,4-tetrahydro-quinolin-3-yl]acetic Acid Methyl Ester
- IUPAC
- methyl 2-[7-(4-aminobutoxy)-1-benzyl-2-oxo-3,4-dihydroquinolin-3-yl]acetate
Names & synonyms
SCHEMBL7076546QRZTWHHSKMTEOG-UHFFFAOYSA-N[1-Benzyl-7-(4-aminobutoxy)-2-oxo-1,2,3,4-tetrahydro-quinolin-3-yl]acetic Acid Methyl Ester
Database identifiers
- PubChem CID
- 69979749
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 81.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 535
Related reactions
2 records
Compound notes
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