Basic information
- Standard SMILES
Cc1onc(-c2ccc(Cl)cc2)c1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1- InChIKey
CNMDDAFIBJNBFQ-QGZVFWFLSA-N- Molecular formula
- C26H26ClN3O
- Average molar mass
- 432 g/mol
- Monoisotopic mass
- 431.1764402
Names & identifiers
- Preferred name
- (R)-3-(4-chlorophenyl)-5-methyl-4-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)isoxazole
- IUPAC
- 3-(4-chlorophenyl)-5-methyl-4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole
Names & synonyms
CHEMBL1085396SCHEMBL1574277CNMDDAFIBJNBFQ-QGZVFWFLSA-NBDBM50319547(R)-3-(4-chlorophenyl)-5-methyl-4-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)isoxazole2-[3-(4-Chloro-phenyl)-5-methyl-isoxazol-4-yl]-6-[2-((2R)-2-methyl-pyrrolidin-1-yl)-ethyl]-quinoline
Database identifiers
- PubChem CID
- 11640588
- ChEMBL
CHEMBL1085396
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 583
Related reactions
1 records
Compound notes
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