1-(3-methyl-5-phenyl-1H-pyrrol-2-yl)isoquinoline
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Basic information
- Standard SMILES
Cc1cc(-c2ccccc2)[nH]c1-c1nccc2ccccc12- InChIKey
XOLLNAITAXMEIT-UHFFFAOYSA-N- Molecular formula
- C20H16N2
- Average molar mass
- 284.4 g/mol
- Monoisotopic mass
- 284.13134852
Names & identifiers
- Preferred name
- 1-(3-methyl-5-phenyl-1H-pyrrol-2-yl)isoquinoline
- IUPAC
- 1-(3-methyl-5-phenyl-1H-pyrrol-2-yl)isoquinoline
Names & synonyms
NSC619096NSC-619096
Database identifiers
- PubChem CID
- 358934
Properties
Computed structural propertiesFilling in
- XLogP
- 4.6
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 363
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Compound notes
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