3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo-8-(trifluoromethyl)-
Basic information
- CAS
144633-80-7- Standard SMILES
CC1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C(F)(F)F)CCN1- InChIKey
QMWGEAJFSCQHHS-UHFFFAOYSA-N- Molecular formula
- C19H19F4N3O3
- Average molar mass
- 413.4 g/mol
- Monoisotopic mass
- 413.13625412
Names & identifiers
- Preferred name
- 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo-8-(trifluoromethyl)-
- IUPAC
- 1-cyclopropyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid
- English name
- 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-7-(3-Methyl-1-piperazinyl)-4-oxo-8-(trifluoroMethyl)-
- Molecular formula
- C19H19F4N3O3
- Molecular weight
- 413.37
Names & synonyms
144633-80-73-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo-8-(trifluoromethyl)-1-Cyclopropyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-8-(trifluoromethyl)-1,4-dihydroquinoline-3-carboxylic acid1-cyclopropyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid3-Quinolinecarboxylicacid,1-cyclopropyl-6-fluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo-8-(trifluoromethyl)-3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-7-(3-Methyl-1-piperazinyl)-4-oxo-8-(tQMWGEAJFSCQHHS-UHFFFAOYSA-NCHEMBL359018SCHEMBL10401420DTXSID709323691-Cyclopropyl-6-fluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo-8-(trifluoromethyl)-3-quinolinecarboxylic acid1-Cyclopropyl-6-fluoro-1,4-dihydro-7-(3-methyl-piperazin-1-yl)-4-oxo-8-(trifluoromethyl)-quinolin-3-carboxylic acid
Database identifiers
- CAS
144633-80-7
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 724
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