4(3H)-Quinazolinone, 6-bromo-2-(2-(2-(4-chlorophenyl)-1H-indol-3-yl)ethenyl)-3-4-methylphenyl)-
Basic information
- CAS
81958-19-2- Standard SMILES
Cc1ccc(-n2c(/C=C/c3c(-c4ccc(Cl)cc4)[nH]c4ccccc34)nc3ccc(Br)cc3c2=O)cc1- InChIKey
KKGTVYDQAVRSLK-BMRADRMJSA-N- Molecular formula
- C31H21BrClN3O
- Average molar mass
- 566.9 g/mol
- Monoisotopic mass
- 565.05565
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 6-bromo-2-(2-(2-(4-chlorophenyl)-1H-indol-3-yl)ethenyl)-3-4-methylphenyl)-
- IUPAC
- 6-bromo-2-[(E)-2-[2-(4-chlorophenyl)-1H-indol-3-yl]ethenyl]-3-(4-methylphenyl)quinazolin-4-one
Names & synonyms
4(3H)-Quinazolinone, 6-bromo-2-(2-(2-(4-chlorophenyl)-1H-indol-3-yl)ethenyl)-3-4-methylphenyl)-81958-19-2RefChem:1069175
Database identifiers
- CAS
81958-19-2- PubChem CID
- 6435976
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 48.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 878
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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