5-{[4,4-Dimethyl-6-fluoro-2-hydroxy-5-methoxy-2-trifluoromethyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino}-quinolin-2(1H)-one

HCID 68680484
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Basic information

Standard SMILES
COc1c(F)ccc2c1C(C)(C)CC(O)(C(F)(F)F)C2Nc1cccc2[nH]c(=O)ccc12
InChIKey
JXTAVWXIBNAAGB-UHFFFAOYSA-N
Molecular formula
C23H22F4N2O3
Average molar mass
450.4 g/mol

Names & identifiers

Preferred name
5-{[4,4-Dimethyl-6-fluoro-2-hydroxy-5-methoxy-2-trifluoromethyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino}-quinolin-2(1H)-one
IUPAC
5-[[6-fluoro-2-hydroxy-5-methoxy-4,4-dimethyl-2-(trifluoromethyl)-1,3-dihydronaphthalen-1-yl]amino]-1H-quinolin-2-one

Names & synonyms

5-{[4,4-Dimethyl-6-fluoro-2-hydroxy-5-methoxy-2-trifluoromethyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino}-quinolin-2(1H)-oneSCHEMBL3535807

Database identifiers

PubChem CID
68680484

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
70.6 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
8
Rotatable bonds
3
Heavy atoms
32

Related reactions

4 records
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Compound notes

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