Basic information
- Standard SMILES
CCOC(=O)c1c(C)c2cc(C#Cc3ccc(-c4ccc(Cl)cc4)cn3)ccc2n1CCN1CCCC1- InChIKey
JGMSQZGEESIXNO-UHFFFAOYSA-N- Molecular formula
- C31H30ClN3O2
- Average molar mass
- 512 g/mol
- Monoisotopic mass
- 511.2026549
Names & identifiers
- Preferred name
- Ethyl 5-[5-(4-chloro-phenyl)-pyridin-2-ylethynyl]-3-methyl-1-(2-pyrrolidin-1-yl-ethyl)-1h-indole-2-carboxylate
- IUPAC
- ethyl 5-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]-3-methyl-1-(2-pyrrolidin-1-ylethyl)indole-2-carboxylate
Names & synonyms
SCHEMBL4514326JGMSQZGEESIXNO-UHFFFAOYSA-Nethyl 5-[5-(4-chloro-phenyl)-pyridin-2-ylethynyl]-3-methyl-1-(2-pyrrolidin-1-yl-ethyl)-1h-indole-2-carboxylate
Database identifiers
- PubChem CID
- 59835807
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 47.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 825
Related reactions
2 records
Compound notes
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