Basic information
- CAS
752228-61-8- Standard SMILES
O=C(NCc1ccccc1Cl)c1cc(=O)[nH]c2ccccc12- InChIKey
WADYODWZFZVIDU-UHFFFAOYSA-N- Molecular formula
- C17H13ClN2O2
- Average molar mass
- 312.7 g/mol
- Monoisotopic mass
- 312.0665554
Names & identifiers
- Preferred name
- N-[(2-chlorophenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide
- IUPAC
- N-[(2-chlorophenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide
- English name
- N-(2-chlorobenzyl)-2-hydroxyquinoline-4-carboxamide
- Molecular formula
- C17H13ClN2O2
- Molecular weight
- 312.75
Names & synonyms
752228-61-8N-(2-chlorobenzyl)-2-hydroxyquinoline-4-carboxamideN-[(2-chlorophenyl)methyl]-2-oxo-1H-quinoline-4-carboxamideMLS001176842CHEMBL1430392DTXSID101324549HMS2902P13EiM08-02310STK643196AKOS005574547AKOS016400207SMR000592465
Show more names
4-Quinolinecarboxamide, N-[(2-chlorophenyl)methyl]-1,2-dihydro-2-oxo-
AB00725037-01Z56994649N-(2-chlorobenzyl)-2-oxo-1,2-dihydroquinoline-4-carboxamideN-[(2-chlorophenyl)methyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
Database identifiers
- CAS
752228-61-8- PubChem CID
- 2124752
- DTXSID
DTXSID101324549- ChEMBL
CHEMBL1430392
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 477
Experimental & physicochemical properties
Solubility7.4 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 618.5 · 618.5±55.0 °C(Predicted)
- Density
- 1.343 · 1.343±0.06 g/cm3(Predicted)
- pka
- 10.92 · 10.92±0.70(Predicted)
Chemistry & industry
Suppliers4 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
OTAVA-BB[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…