Basic information
- CAS
68501-61-1- Standard SMILES
O=C(NCc1nc2c(I)cccc2c(=O)n1CCc1ccc(O)c(O)c1)c1ccccc1- InChIKey
OLYTWFIWJNQLMW-UHFFFAOYSA-N- Molecular formula
- C24H20IN3O4
- Average molar mass
- 541.3 g/mol
- Monoisotopic mass
- 541.04985
Names & identifiers
- Preferred name
- Benzamide, N-((3-(2-(3,4-dihydroxyphenyl)ethyl)-3,4-dihydro-8-iodo-4-oxo-2-quinazolinyl)methyl)-
- IUPAC
- N-[[3-[2-(3,4-dihydroxyphenyl)ethyl]-8-iodo-4-oxoquinazolin-2-yl]methyl]benzamide
Names & synonyms
BRN 0725950Benzamide, N-((3-(2-(3,4-dihydroxyphenyl)ethyl)-3,4-dihydro-8-iodo-4-oxo-2-quinazolinyl)methyl)-68501-61-1DTXSID302186365-25-15-00117 (Beilstein Handbook Reference)RefChem:322034DTXCID80141127N-({3-[2-(3,4-Dihydroxyphenyl)ethyl]-8-iodo-4-oxo-3,4-dihydroquinazolin-2-yl}methyl)benzamide
Database identifiers
- CAS
68501-61-1- PubChem CID
- 3052145
- DTXSID
DTXSID30218636
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 711
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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