4(3H)-Quinazolinone, 3-(2-(4-chlorophenyl)-3-oxopropyl)-
Basic information
- CAS
108664-81-9- Standard SMILES
O=CC(Cn1cnc2ccccc2c1=O)c1ccc(Cl)cc1- InChIKey
LEIQYZNGRYSBJF-UHFFFAOYSA-N- Molecular formula
- C17H13ClN2O2
- Average molar mass
- 312.7 g/mol
- Monoisotopic mass
- 312.0665554
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 3-(2-(4-chlorophenyl)-3-oxopropyl)-
- IUPAC
- 2-(4-chlorophenyl)-3-(4-oxoquinazolin-3-yl)propanal
Names & synonyms
108664-81-94(3H)-Quinazolinone, 3-(2-(4-chlorophenyl)-3-oxopropyl)-RefChem:1069125BRN 53474033-(2-(4-Chlorophenyl)-3-oxopropyl)-4(3H)-quinazolinone2-(4-chlorophenyl)-3-(4-oxoquinazolin-3(4h)-yl)propanalDTXSID30910820
Database identifiers
- CAS
108664-81-9- PubChem CID
- 63184
- DTXSID
DTXSID30910820
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 446
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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