4-Hydroxy-2-oxo-N-(1-phenylethyl)-1-propyl-1,2-dihydroquinoline-3-carboxamide
Basic information
- CAS
5651-04-7- Standard SMILES
CCCn1c(=O)c(C(=O)NC(C)c2ccccc2)c(O)c2ccccc21- InChIKey
QVFNADCGBBLMOB-UHFFFAOYSA-N- Molecular formula
- C21H22N2O3
- Average molar mass
- 350.4 g/mol
- Monoisotopic mass
- 350.16304257
Names & identifiers
- Preferred name
- 4-Hydroxy-2-oxo-N-(1-phenylethyl)-1-propyl-1,2-dihydroquinoline-3-carboxamide
- IUPAC
- 4-hydroxy-2-oxo-N-(1-phenylethyl)-1-propylquinoline-3-carboxamide
Names & synonyms
4-hydroxy-2-oxo-N-(1-phenylethyl)-1-propyl-1,2-dihydroquinoline-3-carboxamideDTXSID907157725651-04-7RefChem:293176DTXCID906665184-hydroxy-2-oxo-N-(1-phenylethyl)-1-propyl-1,2-dihydro-3-quinolinecarboxamideOprea1_027769Oprea1_073096MLS001211001CHEMBL1526105HMS2844E21AKOS000622173
Show more names
AKOS021781138SMR000513692EU-0032398ST50001564SR-01000588901SR-01000588901-1BRD-A26283705-001-07-24-hydroxy-2-oxo-N-(1-phenylethyl)-1-propylquinoline-3-carboxamide
Database identifiers
- CAS
5651-04-7- PubChem CID
- 54686151
- DTXSID
DTXSID90715772- ChEMBL
CHEMBL1526105
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 566
Experimental & physicochemical properties
Solubility1.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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