4(3H)-Quinazolinone, 3-(4-methylphenyl)-2-(2-(2-phenyl-1H-indol-3-yl)ethenyl)-
Basic information
- CAS
81958-07-8- Standard SMILES
Cc1ccc(-n2c(/C=C/c3c(-c4ccccc4)[nH]c4ccccc34)nc3ccccc3c2=O)cc1- InChIKey
OKWQHTNCEGEERB-FMQUCBEESA-N- Molecular formula
- C31H23N3O
- Average molar mass
- 453.5 g/mol
- Monoisotopic mass
- 453.18411237
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 3-(4-methylphenyl)-2-(2-(2-phenyl-1H-indol-3-yl)ethenyl)-
- IUPAC
- 3-(4-methylphenyl)-2-[(E)-2-(2-phenyl-1H-indol-3-yl)ethenyl]quinazolin-4-one
Names & synonyms
4(3H)-Quinazolinone, 3-(4-methylphenyl)-2-(2-(2-phenyl-1H-indol-3-yl)ethenyl)-81958-07-8RefChem:10691473-(4-Methylphenyl)-2-(2-(2-phenyl-1H-indol-3-yl)ethenyl)-4(3H)-quinazolinone
Database identifiers
- CAS
81958-07-8- PubChem CID
- 6435971
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 48.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 806
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