4(3H)-Quinazolinone, 6,7-dibromo-2-((o-methoxyphenoxy)methyl)-3-(2-pyridyl)-
Basic information
- CAS
75057-67-9- Standard SMILES
COc1ccccc1OCc1nc2cc(Br)c(Br)cc2c(=O)n1-c1ccccn1- InChIKey
PSDOTKXTXKLBEO-UHFFFAOYSA-N- Molecular formula
- C21H15Br2N3O3
- Average molar mass
- 517.2 g/mol
- Monoisotopic mass
- 514.94802
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 6,7-dibromo-2-((o-methoxyphenoxy)methyl)-3-(2-pyridyl)-
- IUPAC
- 6,7-dibromo-2-[(2-methoxyphenoxy)methyl]-3-pyridin-2-ylquinazolin-4-one
Names & synonyms
4(3H)-Quinazolinone, 6,7-dibromo-2-((o-methoxyphenoxy)methyl)-3-(2-pyridyl)-75057-67-9BRN 07236536,7-Dibromo-2-((o-methoxyphenoxy)methyl)-3-(2-pyridyl)-4(3H)-quinazolinoneDTXSID802260296,7-Dibromo-2-[(2-methoxyphenoxy)methyl]-3-(pyridin-2-yl)quinazolin-4(3H)-one
Database identifiers
- CAS
75057-67-9- PubChem CID
- 63555
- DTXSID
DTXSID80226029
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 620
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Compound notes
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