Basic information
- Standard SMILES
Cn1cncc1C(O)(c1ccc(C(F)(F)F)nc1)c1ccc2nc(N3CCC3)c(Oc3ccc(Cl)cc3)c(Cl)c2c1- InChIKey
MDPNKAIDFYRNEN-UHFFFAOYSA-N- Molecular formula
- C29H22Cl2F3N5O2
- Average molar mass
- 600.4 g/mol
- Monoisotopic mass
- 599.1102648
Names & identifiers
- Preferred name
- (2-(Azetidin-1-yl)-4-chloro-3-(4-chlorophenoxy)quinolin-6-yl)(1-methyl-1H-imidazol-5-yl)(6-(trifluoromethyl)pyridin-3-yl)methanol
- IUPAC
- [2-(azetidin-1-yl)-4-chloro-3-(4-chlorophenoxy)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanol
Names & synonyms
(2-(Azetidin-1-yl)-4-chloro-3-(4-chlorophenoxy)quinolin-6-yl)(1-methyl-1H-imidazol-5-yl)(6-(trifluoromethyl)pyridin-3-yl)methanolCHEMBL3984833SCHEMBL16460458BDBM221256US9303015, 30aUS9303015, 30bUS9303015, 30c
Database identifiers
- PubChem CID
- 86715463
- ChEMBL
CHEMBL3984833
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 76.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 895
Related reactions
1 records
Compound notes
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