Basic information
- Standard SMILES
COC(=O)c1ccc2c(C3CCCCC3)c(-c3ccc4nc(-c5sc(C)nc5C)ccc4c3)[nH]c2c1- InChIKey
KCLQOJSLRVJUOQ-UHFFFAOYSA-N- Molecular formula
- C30H29N3O2S
- Average molar mass
- 495.6 g/mol
Names & identifiers
- Preferred name
- 3-Cyclohexyl-2-[2-(2,4-dimethyl-thiazol-5-yl)-quinolin-6-yl]-1H-indole-6-carboxylic acid methyl ester
- IUPAC
- methyl 3-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]-1H-indole-6-carboxylate
Names & synonyms
SCHEMBL5197584KCLQOJSLRVJUOQ-UHFFFAOYSA-N3-Cyclohexyl-2-[2-(2,4-dimethyl-thiazol-5-yl)-quinolin-6-yl]-1H-indole-6-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 58710327
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 96.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 775
Related reactions
2 records
Compound notes
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