Basic information
- Standard SMILES
Cc1ccc(C#Cc2ccc3cc4c(cc3n2)CC2(C4)C(=O)Nc3ncccc32)cc1- InChIKey
DETCFGLKRAMTNJ-UHFFFAOYSA-N- Molecular formula
- C27H19N3O
- Average molar mass
- 401.5 g/mol
Names & identifiers
- Preferred name
- (+/-)-2-[(4-Methylphenyl)ethynyl]-6,8-dihydrospiro[cyclopenta[g]quinoline-7,3'-pyrrolo[2,3-b]pyridin]-2'(1'H)-one
- IUPAC
- 2'-[2-(4-methylphenyl)ethynyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,7'-6,8-dihydrocyclopenta[g]quinoline]-2-one
Names & synonyms
SCHEMBL3522710DETCFGLKRAMTNJ-UHFFFAOYSA-N(+/-)-2-[(4-Methylphenyl)ethynyl]-6,8-dihydrospiro[cyclopenta[g]quinoline-7,3'-pyrrolo[2,3-b]pyridin]-2'(1'H)-one
Database identifiers
- PubChem CID
- 16736992
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 54.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 774
Related reactions
2 records
Compound notes
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