Basic information
- CAS
5599-19-9- Standard SMILES
Cc1nc2ccc(Br)cc2c(-c2ccccc2)c1C(=O)C=Cc1ccc2cccnc2c1- InChIKey
ITIOKYSIFSNEHI-UHFFFAOYSA-N- Molecular formula
- C28H19BrN2O
- Average molar mass
- 479.4 g/mol
- Monoisotopic mass
- 478.06808
Names & identifiers
- Preferred name
- 1-(6-Bromo-2-methyl-4-phenylquinolin-3-yl)-3-quinolin-7-ylprop-2-en-1-one
- IUPAC
- 1-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-3-quinolin-7-ylprop-2-en-1-one
Names & synonyms
5599-19-91-(6-Bromo-2-methyl-4-phenylquinolin-3-yl)-3-(quinolin-7-yl)prop-2-en-1-oneAC1NQJCBDTXSID30411185
Database identifiers
- CAS
5599-19-9- PubChem CID
- 5222997
- DTXSID
DTXSID30411185
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 42.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 674
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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