Basic information
- CAS
77161-17-2- Standard SMILES
CC1CCCN(Cc2nc3c(Br)cc(Br)cc3c(=O)n2-c2ccccc2)C1- InChIKey
POBSRCXVYUSVCS-UHFFFAOYSA-N- Molecular formula
- C21H21Br2N3O
- Average molar mass
- 491.2 g/mol
- Monoisotopic mass
- 489.00514
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 6,8-dibromo-2-((3-methyl-1-piperidinyl)methyl)-3-phenyl-
- IUPAC
- 6,8-dibromo-2-[(3-methylpiperidin-1-yl)methyl]-3-phenylquinazolin-4-one
Names & synonyms
77161-17-26,8-Dibromo-2-((3-methyl-1-piperidinyl)methyl)-3-phenyl-4(3H)-quinazolinone4(3H)-Quinazolinone, 6,8-dibromo-2-((3-methyl-1-piperidinyl)methyl)-3-phenyl-RefChem:284193DTXSID509984236,8-dibromo-2-[(3-methylpiperidin-1-yl)methyl]-3-phenylquinazolin-4(3H)-one
Database identifiers
- CAS
77161-17-2- PubChem CID
- 63591
- DTXSID
DTXSID50998423
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 35.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 578
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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