4-(allyloxy)-N-(6-bromo-2-(5-ethoxy-2-methoxyphenyl)-4-oxo-1,4-dihydro-3(2H)-quinazolinyl)benzamide
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Basic information
- CAS
445253-29-2- Standard SMILES
C=CCOc1ccc(C(=O)NN2C(=O)c3cc(Br)ccc3NC2c2cc(OCC)ccc2OC)cc1- InChIKey
IFDIHUHYYHYVGD-UHFFFAOYSA-N- Molecular formula
- C27H26BrN3O5
- Average molar mass
- 552.4 g/mol
- Monoisotopic mass
- 551.10558
Names & identifiers
- Preferred name
- 4-(allyloxy)-N-(6-bromo-2-(5-ethoxy-2-methoxyphenyl)-4-oxo-1,4-dihydro-3(2H)-quinazolinyl)benzamide
- IUPAC
- N-[6-bromo-2-(5-ethoxy-2-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-prop-2-enoxybenzamide
- English name
- 4-(allyloxy)-N-(6-bromo-2-(5-ethoxy-2-methoxyphenyl)-4-oxo-1,4-dihydro-3(2H)-quinazolinyl)benzamide
- Molecular formula
- C27H26BrN3O5
- Molecular weight
- 552.41644
Names & synonyms
4-(allyloxy)-N-(6-bromo-2-(5-ethoxy-2-methoxyphenyl)-4-oxo-1,4-dihydro-3(2H)-quinazolinyl)benzamide445253-29-2AK-968/12974302STL172317AKOS005368329N-[6-bromo-2-(5-ethoxy-2-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-prop-2-enoxybenzamideN-[6-bromo-2-(5-ethoxy-2-methoxyphenyl)-4-oxo-1,4-dihydroquinazolin-3(2H)-yl]-4-(prop-2-en-1-yloxy)benzamide
Database identifiers
- CAS
445253-29-2- PubChem CID
- 4139519
Properties
Computed structural propertiesFilling in
- XLogP
- 5.5
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 762
Related reactions
0 records
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Compound notes
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