Basic information
- CAS
71999-22-9- Standard SMILES
CC(=O)N1C=Cc2ccccc2C1c1c[nH]c2ccccc12- InChIKey
YCHXQUZTRTXQKL-UHFFFAOYSA-N- Molecular formula
- C19H16N2O
- Average molar mass
- 288.3 g/mol
- Monoisotopic mass
- 288.12626314
Names & identifiers
- Preferred name
- Isoquinoline, 2-acetyl-1,2-dihydro-1-(1H-indol-3-yl)-
- IUPAC
- 1-[1-(1H-indol-3-yl)-1H-isoquinolin-2-yl]ethanone
Names & synonyms
71999-22-9Isoquinoline, 2-acetyl-1,2-dihydro-1-(1H-indol-3-yl)-1-(1-(1H-Indol-3-yl)isoquinolin-2(1H)-yl)ethanone1-[1-(1H-indol-3-yl)isoquinolin-2(1H)-yl]ethanoneOprea1_702828CBDivE_002353DTXSID10385198HMS1577M10STL553708AKOS030488309SR-01000196096SR-01000196096-1
Show more names
1-[1-(1H-Indol-3-yl)isoquinolin-2(1H)-yl]ethan-1-one
Database identifiers
- CAS
71999-22-9- PubChem CID
- 2828443
- DTXSID
DTXSID10385198
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 36.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 460
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…