4(3H)-Quinazolinone, 3-(2-(2,5-dihydroxyphenyl)ethyl)-8-iodo-2-phenyl-
Basic information
- CAS
86804-53-7- Standard SMILES
O=c1c2cccc(I)c2nc(-c2ccccc2)n1CCc1cc(O)ccc1O- InChIKey
UJXIFAILOUCABL-UHFFFAOYSA-N- Molecular formula
- C22H17IN2O3
- Average molar mass
- 484.3 g/mol
- Monoisotopic mass
- 484.02839
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 3-(2-(2,5-dihydroxyphenyl)ethyl)-8-iodo-2-phenyl-
- IUPAC
- 3-[2-(2,5-dihydroxyphenyl)ethyl]-8-iodo-2-phenylquinazolin-4-one
Names & synonyms
86804-53-74(3H)-Quinazolinone, 3-(2-(2,5-dihydroxyphenyl)ethyl)-8-iodo-2-phenyl-3-(2-(2,5-Dihydroxyphenyl)ethyl)-8-iodo-2-phenyl-4(3H)-quinazolinoneDTXSID70235822RefChem:283982DTXCID001583133-[2-(2,5-Dihydroxyphenyl)ethyl]-8-iodo-2-phenylquinazolin-4(3H)-one
Database identifiers
- CAS
86804-53-7- PubChem CID
- 64094
- DTXSID
DTXSID70235822
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 592
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Compound notes
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