Metabolite 5-chloro-N-ethyl-4-hydroxy-2-oxo-N-phenyl-1,2-dihydroquinoline-3-carboxamide
- Name
- 5-chloro-N-ethyl-4-hydroxy-2-oxo-N-phenyl-1,2-dihydroquinoline-3-carboxamide
- Description
- Not Available
- Structure
Structure for 5-chloro-N-ethyl-4-hydroxy-2-oxo-N-phenyl-1,2-dihydroquinoline-3-carboxamide
- Synonyms
- Not Available
- UNII
- PQ6H5FR2R6
- CAS number
- Not Available
- Weight
- Average: 342.78
Monoisotopic: 342.0771201 - Chemical Formula
- C18H15ClN2O3
- InChI Key
- PRSDPSUTNKQSOJ-UHFFFAOYSA-N
- InChI
- InChI=1S/C18H15ClN2O3/c1-2-21(11-7-4-3-5-8-11)18(24)15-16(22)14-12(19)9-6-10-13(14)20-17(15)23/h3-10H,2H2,1H3,(H2,20,22,23)
- IUPAC Name
- 5-chloro-N-ethyl-4-hydroxy-2-oxo-N-phenyl-1,2-dihydroquinoline-3-carboxamide
- SMILES
- [H]OC1=C(C(=O)N(C2=C([H])C([H])=C([H])C([H])=C2[H])C([H])([H])C([H])([H])[H])C(=O)N([H])C2=C1C(Cl)=C([H])C([H])=C2[H]
- Reactions
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 175.26192 predictedDeepCCS 1.0 (2019) [M+H]+ 177.01274 predictedDeepCCS 1.0 (2019) [M+Na]+ 183.07198 predictedDeepCCS 1.0 (2019) - External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0151 mg/mL ALOGPS logP 2.94 ALOGPS logP 2.69 Chemaxon logS -4.4 ALOGPS pKa (Strongest Acidic) 5.01 Chemaxon pKa (Strongest Basic) -2.5 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 69.64 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 94.19 m3·mol-1 Chemaxon Polarizability 33.81 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon