5-[4-(5-Fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentylamino]-quinoline-2-carboxylic acid diethylamide
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Basic information
- Standard SMILES
CCN(CC)C(=O)c1ccc2c(NCC(O)(CC(C)(C)c3cc(F)ccc3O)C(F)(F)F)cccc2n1- InChIKey
UTFJIUNMGHGRKF-UHFFFAOYSA-N- Molecular formula
- C27H31F4N3O3
- Average molar mass
- 521.5 g/mol
- Monoisotopic mass
- 521.23015451
Names & identifiers
- Preferred name
- 5-[4-(5-Fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentylamino]-quinoline-2-carboxylic acid diethylamide
- IUPAC
- N,N-diethyl-5-[[4-(5-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]quinoline-2-carboxamide
Names & synonyms
5-[4-(5-Fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentylamino]-quinoline-2-carboxylic acid diethylamideSCHEMBL4820092
Database identifiers
- PubChem CID
- 20786232
Properties
Computed structural propertiesFilling in
- XLogP
- 5.9
- Topological polar surface area
- 85.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 764
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Related reactions
4 records
Compound notes
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