4(3H)-Quinazolinone, 3-(((3,4-dihydroxyphenyl)methyl)phenylamino)-8-iodo-2-phenyl-
Basic information
- CAS
71476-97-6- Standard SMILES
O=c1c2cccc(I)c2nc(-c2ccccc2)n1N(Cc1ccc(O)c(O)c1)c1ccccc1- InChIKey
JAKOWYDDKDOSDR-UHFFFAOYSA-N- Molecular formula
- C27H20IN3O3
- Average molar mass
- 561.4 g/mol
- Monoisotopic mass
- 561.05494
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 3-(((3,4-dihydroxyphenyl)methyl)phenylamino)-8-iodo-2-phenyl-
- IUPAC
- 3-[N-[(3,4-dihydroxyphenyl)methyl]anilino]-8-iodo-2-phenylquinazolin-4-one
Names & synonyms
BRN 08651764(3H)-Quinazolinone, 3-(((3,4-dihydroxyphenyl)methyl)phenylamino)-8-iodo-2-phenyl-71476-97-6DTXSID702216895-24-04-00233 (Beilstein Handbook Reference)3-(((3,4-Dihydroxyphenyl)methyl)phenylamino)-8-iodo-2-phenyl-4(3H)-quinazolinoneRefChem:283925DTXCID501441803-{[(3,4-Dihydroxyphenyl)methyl](phenyl)amino}-8-iodo-2-phenylquinazolin-4(3H)-one
Database identifiers
- CAS
71476-97-6- PubChem CID
- 63510
- DTXSID
DTXSID70221689
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 76.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 737
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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