Basic information
- Standard SMILES
COc1cc(-c2cn[nH]c2)cc2c1ccn2-c1c(C)c(C)nc2ccc(Cl)cc12- InChIKey
IHRGPRCPXJQJCE-UHFFFAOYSA-N- Molecular formula
- C23H19ClN4O
- Average molar mass
- 402.9 g/mol
Names & identifiers
- Preferred name
- 6-chloro-4-(4-methoxy-6-(1H-pyrazol-4-yl)-1H-indol-1-yl)-2,3-dimethylquinoline
- IUPAC
- 6-chloro-4-[4-methoxy-6-(1H-pyrazol-4-yl)indol-1-yl]-2,3-dimethylquinoline
Names & synonyms
SCHEMBL2126147CHEMBL3698323IHRGPRCPXJQJCE-UHFFFAOYSA-NBDBM1247006-chloro-4-(4-methoxy-6-(1H-pyrazol-4-yl)-1H-indol-1-yl)-2,3-dimethylquinolineUS8765940, 6-chloro-4-(4-methoxy-6-(1H-pyrazol-4-yl)-1H-indol-1-yl)-2,3-dimethylquinoline
Database identifiers
- PubChem CID
- 50940331
- ChEMBL
CHEMBL3698323
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 55.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 579
Related reactions
2 records
Compound notes
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