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Basic information
- Standard SMILES
CCCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(C#CCO)ccc21- InChIKey
DTHSAUTUTHFKAT-UHFFFAOYSA-N- Molecular formula
- C23H21ClN2O3
- Average molar mass
- 408.9 g/mol
Names & identifiers
- Preferred name
- N-(4-Chlorobenzyl)-6-(3-hydroxy-1-propynyl)-4-oxo-1-propyl-1,4-dihydro-3-quinolinecarboxamide
- IUPAC
- N-[(4-chlorophenyl)methyl]-6-(3-hydroxyprop-1-ynyl)-4-oxo-1-propylquinoline-3-carboxamide
Names & synonyms
SCHEMBL6666937DTHSAUTUTHFKAT-UHFFFAOYSA-NN-(4-Chlorobenzyl)-6-(3-hydroxy-1-propynyl)-4-oxo-1-propyl-1,4-dihydro-3-quinolinecarboxamide
Database identifiers
- PubChem CID
- 21192522
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 699
Related reactions
1 records
Compound notes
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