3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(4-(1-methylethyl)-1-piperazinyl)-4-oxo-
Basic information
- CAS
183135-65-1- Standard SMILES
COc1c(N2CCN(C(C)C)CC2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12- InChIKey
AFQHQDNOTGYNLP-UHFFFAOYSA-N- Molecular formula
- C21H26FN3O4
- Average molar mass
- 403.4 g/mol
- Monoisotopic mass
- 403.19073448
Names & identifiers
- Preferred name
- 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(4-(1-methylethyl)-1-piperazinyl)-4-oxo-
- IUPAC
- 1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-7-(4-propan-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid
Names & synonyms
PD162282183135-65-13-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-(4-(1-methylethyl)-1-piperazinyl)-4-oxo-3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[4-(1-methylethyl)-1-piperazinyl]-4-oxo-SCHEMBL14453814DTXSID701713921-cyclopropyl-6-fluoro-7-(4-isopropylpiperazin-1-yl)-8-methoxy-4-oxo-quinoline-3-carboxylic acid1-Cyclopropyl-6-fluoro-8-methoxy-4-oxo-7-[4-(propan-2-yl)piperazin-1-yl]-1,4-dihydroquinoline-3-carboxylic acid
Database identifiers
- CAS
183135-65-1- PubChem CID
- 465565
- DTXSID
DTXSID70171392
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 73.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 687
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