7-(3-(1-Aminoethyl)-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-8-(trifluoromethyl)-3-quinolinecarboxylic acid
Basic information
- CAS
118829-01-9- Standard SMILES
CC(N)C1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C(F)(F)F)C1- InChIKey
FMCDYELTNVWSIK-UHFFFAOYSA-N- Molecular formula
- C20H21F4N3O3
- Average molar mass
- 427.4 g/mol
- Monoisotopic mass
- 427.15190419
Names & identifiers
- Preferred name
- 7-(3-(1-Aminoethyl)-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-8-(trifluoromethyl)-3-quinolinecarboxylic acid
- IUPAC
- 7-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid
Names & synonyms
7-(3-(1-Aminoethyl)-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-8-(trifluoromethyl)-3-quinolinecarboxylic acid118829-01-93-Quinolinecarboxylic acid, 1,4-dihydro-7-(3-(1-aminoethyl)-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-4-oxo-8-(trifluoromethyl)-CHEMBL171200SCHEMBL8327994DTXSID10922789FMCDYELTNVWSIK-UHFFFAOYSA-N7-[3-(1-Aminoethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-8-(trifluoromethyl)-1,4-dihydroquinoline-3-carboxylic acid
Database identifiers
- CAS
118829-01-9- PubChem CID
- 147269
- DTXSID
DTXSID10922789- ChEMBL
CHEMBL171200- Nikkaji
- J523.472G
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 754
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Compound notes
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