1-Methyl-3-(2-phenylethynyl)-4(1H)-cinnolinone
Basic information
- CAS
82453-36-9- Standard SMILES
Cn1nc(C#Cc2ccccc2)c(=O)c2ccccc21- InChIKey
LWWVVLODNVGMQL-UHFFFAOYSA-N- Molecular formula
- C17H12N2O
- Average molar mass
- 260.29 g/mol
- Monoisotopic mass
- 260.09496301
Names & identifiers
- Preferred name
- 1-Methyl-3-(2-phenylethynyl)-4(1H)-cinnolinone
- IUPAC
- 1-methyl-3-(2-phenylethynyl)cinnolin-4-one
Names & synonyms
1-Methyl-3-(2-phenylethynyl)-4(1H)-cinnolinoneDTXSID90124906082453-36-91-Methyl-3-(phenylethynyl)cinnolin-4(1H)-one
Database identifiers
- CAS
82453-36-9- PubChem CID
- 12908792
- DTXSID
DTXSID901249060
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 476
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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