Basic information
- CAS
84770-72-9- Standard SMILES
O=C1c2ccccc2N(C(=O)CCN2CCOCC2)CN1c1ccc(Br)cc1- InChIKey
KWKKOLAGBKAPBR-UHFFFAOYSA-N- Molecular formula
- C21H22BrN3O3
- Average molar mass
- 444.3 g/mol
- Monoisotopic mass
- 443.08445
Names & identifiers
- Preferred name
- 4(1H)-Quinazolinone, 2,3-dihydro-3-(p-bromophenyl)-1-(3-morpholinopropionyl)-
- IUPAC
- 3-(4-bromophenyl)-1-(3-morpholin-4-ylpropanoyl)-2H-quinazolin-4-one
Names & synonyms
4(1H)-Quinazolinone, 2,3-dihydro-3-(p-bromophenyl)-1-(3-morpholinopropionyl)-84770-72-9DTXSID502338012,3-Dihydro-3-(p-bromophenyl)-1-(3-morpholinopropionyl)-4(1H)-quinazolinone1-(beta-Morpholinopropionyl)-3-(4'-bromophenyl)-1,2,3,4-tetrahydroquinazolin-4-one4(1H)-Quinazolinone, 2,3-dihydro-3-(4-bromophenyl)-1-(3-(4-morpholinyl)-1-oxopropyl)-RefChem:283667DTXCID401562923-(4-bromophenyl)-1-[3-(morpholin-4-yl)propanoyl]-2,3-dihydroquinazolin-4(1H)-one
Database identifiers
- CAS
84770-72-9- PubChem CID
- 63296
- DTXSID
DTXSID50233801
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 561
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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