Basic information
- CAS
90059-70-4- Standard SMILES
O=C(Cn1cnc2ccccc2c1=O)c1ccc(Cl)cc1- InChIKey
NZJCGHMLFLPXET-UHFFFAOYSA-N- Molecular formula
- C16H11ClN2O2
- Average molar mass
- 298.72 g/mol
- Monoisotopic mass
- 298.0509053
Names & identifiers
- Preferred name
- 3-[2-(4-Chlorophenyl)-2-oxoethyl]quinazolin-4-one
- IUPAC
- 3-[2-(4-chlorophenyl)-2-oxoethyl]quinazolin-4-one
Names & synonyms
90059-70-43-[2-(4-chlorophenyl)-2-oxoethyl]quinazolin-4-oneMLS0007085563-(2-(4-Chlorophenyl)-2-oxoethyl)quinazolin-4(3H)-one4(3H)-Quinazolinone, 3-[2-(4-chlorophenyl)-2-oxoethyl]-SMR000289123ST0624903-[2-(4-Chlorophenyl)-2-oxoethyl]quinazolin-4(3H)-one3-[2-(4-chlorophenyl)-2-oxoethyl]-3,4-dihydroquinazolin-4-oneHMS1556G22TimTec1_007898Oprea1_423226
Show more names
cid_738366CHEMBL1478089BDBM43741DTXSID30353334HMS2616A06AKOS000738264IDI1_033552SR-01000459510
Database identifiers
- CAS
90059-70-4- PubChem CID
- 738366
- DTXSID
DTXSID30353334- ChEMBL
CHEMBL1478089
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 444
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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