Basic information
- Standard SMILES
COc1cc2c(C#Cc3cc(Cl)cnc3N)cn(C)c2cc1OC- InChIKey
QBCQATPRWCHRPH-UHFFFAOYSA-N- Molecular formula
- C18H16ClN3O2
- Average molar mass
- 341.8 g/mol
- Monoisotopic mass
- 341.0931045
Names & identifiers
- Preferred name
- 5-chloro-3-(5,6-dimethoxy-1-methyl-1H-indol-3-ylethynyl)pyridin-2-ylamine
- IUPAC
- 5-chloro-3-[2-(5,6-dimethoxy-1-methylindol-3-yl)ethynyl]pyridin-2-amine
Names & synonyms
SCHEMBL1749093QBCQATPRWCHRPH-UHFFFAOYSA-N5-chloro-3-(5,6-dimethoxy-1-methyl-1H-indol-3-ylethynyl)pyridin-2-ylamine
Database identifiers
- PubChem CID
- 67147644
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 62.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 505
Related reactions
4 records
Compound notes
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