7-Fluoro-1-(4-methylbenzyl)-4-oxo-1,4-dihydro-3-quinolinecarbohydrazide
Basic information
- CAS
478043-11-7- Standard SMILES
Cc1ccc(Cn2cc(C(=O)NN)c(=O)c3ccc(F)cc32)cc1- InChIKey
ZCJIUGRXQPCVPN-UHFFFAOYSA-N- Molecular formula
- C18H16FN3O2
- Average molar mass
- 325.3 g/mol
- Monoisotopic mass
- 325.12265492
Names & identifiers
- Preferred name
- 7-Fluoro-1-(4-methylbenzyl)-4-oxo-1,4-dihydro-3-quinolinecarbohydrazide
- IUPAC
- 7-fluoro-1-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carbohydrazide
- English name
- 7-Fluoro-1-(4-methylbenzyl)-4-oxo-1,4-dihydro-3-quinolinecarbohydrazide
- Molecular formula
- C18H16FN3O2
- Molecular weight
- 325.34
Names & synonyms
478043-11-77-fluoro-1-(4-methylbenzyl)-4-oxo-1,4-dihydro-3-quinolinecarbohydrazide7-fluoro-1-[(4-methylphenyl)methyl]-4-oxo-1,4-dihydroquinoline-3-carbohydrazide7-fluoro-1-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carbohydrazideMFCD02083115Oprea1_372707MLS001165599CHEMBL1309618DTXSID001328067HMS2873K22AKOS0050905074M-333S
Show more names
3-Quinolinecarboxylic acid, 7-fluoro-1,4-dihydro-1-[(4-methylphenyl)methyl]-4-oxo-, hydrazide
SMR0005500627-fluoro-4-oxo-1-(p-tolylmethyl)quinoline-3-carbohydrazide7-Fluoro-1-(4-methylbenzyl)-4-oxo-1,4-dihydroquinoline-3-carbohydrazide
Database identifiers
- CAS
478043-11-7- PubChem CID
- 1476774
- DTXSID
DTXSID001328067- ChEMBL
CHEMBL1309618
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 528
Experimental & physicochemical properties
Solubility22.1 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Density
- 1.349 · 1.349±0.06 g/cm3(Predicted)
- pka
- 10.18 · 10.18±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…