N-(4-Chlorobenzyl)-4-hydroxy-6-(3-hydroxy-1-propynyl)-3-quinolinecarboxamide
Basic information
- CAS
228726-59-8- Standard SMILES
O=C(NCc1ccc(Cl)cc1)c1c[nH]c2ccc(C#CCO)cc2c1=O- InChIKey
LHCASPYXLIAHLU-UHFFFAOYSA-N- Molecular formula
- C20H15ClN2O3
- Average molar mass
- 366.8 g/mol
- Monoisotopic mass
- 366.07712
Names & identifiers
- Preferred name
- N-(4-Chlorobenzyl)-4-hydroxy-6-(3-hydroxy-1-propynyl)-3-quinolinecarboxamide
- IUPAC
- N-[(4-chlorophenyl)methyl]-6-(3-hydroxyprop-1-ynyl)-4-oxo-1H-quinoline-3-carboxamide
Names & synonyms
PNU-181128BR9VDR3HHBN-(4-Chlorobenzyl)-4-hydroxy-6-(3-hydroxy-1-propynyl)-3-quinolinecarboxamidePNU181128228726-59-83-Quinolinecarboxamide, N-((4-chlorophenyl)methyl)-4-hydroxy-6-(3-hydroxy-1-propyn-1-yl)-3-Quinolinecarboxamide, N-((4-chlorophenyl)methyl)-4-hydroxy-6-(3-hydroxy-1-propynyl)-N-((4-Chlorophenyl)methyl)-4-hydroxy-6-(3-hydroxyprop-1-yn-1-yl)quinoline-3-carboxamideUNII-BR9VDR3HHBCHEMBL473690SCHEMBL6197455LHCASPYXLIAHLU-UHFFFAOYSA-N
Show more names
N-(4-chlorobenzyl)-4-hydroxy -6-(3-hydroxy-1-propynyl)-3-quinolinecarboxamideN-[(4-chlorophenyl)methyl]-4-hydroxy-6-(3-hydroxyprop-1-ynyl)quinoline-3-carboxamideN-[(4-Chlorophenyl)methyl][4-hydroxy-6-(3-hydroxyprop-1-ynyl)(3-quinolyl)]carboxamide
Database identifiers
- CAS
228726-59-8- PubChem CID
- 484046
- ChEMBL
CHEMBL473690- UNII
- BR9VDR3HHB
- Nikkaji
- J1.689.938K
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 640
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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