Isoquinoline, 1-(1H-indol-3-yl)-
Basic information
- CAS
13708-33-3- Standard SMILES
c1ccc2c(-c3c[nH]c4ccccc34)nccc2c1- InChIKey
DMONRIXWBGGWOT-UHFFFAOYSA-N- Molecular formula
- C17H12N2
- Average molar mass
- 244.29 g/mol
- Monoisotopic mass
- 244.10004839
Names & identifiers
- Preferred name
- Isoquinoline, 1-(1H-indol-3-yl)-
- IUPAC
- 1-(1H-indol-3-yl)isoquinoline
Names & synonyms
13708-33-3Isoquinoline, 1-(1H-indol-3-yl)-DTXSID70356788RefChem:349966DTXCID803078471-(1H-indol-3-yl)isoquinoline1-(3-indolyl)isoquinolineSCHEMBL5750914SCHEMBL8704484SR-01000312614SR-01000312614-1
Database identifiers
- CAS
13708-33-3- PubChem CID
- 832828
- DTXSID
DTXSID70356788
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 316
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Compound notes
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