Basic information
- CAS
5190-53-4- Standard SMILES
O=c1c2ccccc2ncn1-c1ncnc2ccccc12- InChIKey
JPCWLCXKAFKRCB-UHFFFAOYSA-N- Molecular formula
- C16H10N4O
- Average molar mass
- 274.28 g/mol
- Monoisotopic mass
- 274.08546096
Names & identifiers
- Preferred name
- 3-Quinazolin-4-ylquinazolin-4-one
- IUPAC
- 3-quinazolin-4-ylquinazolin-4-one
Names & synonyms
5190-53-44H-[3,4'-Biquinazolin]-4-one3-quinazolin-4-ylquinazolin-4-one3,4-Dihydro-4-oxo-3-(4-quinazolinyl)quinazolineNSC23083DTXSID10966229JPCWLCXKAFKRCB-UHFFFAOYSA-NNSC-23083F98295
Database identifiers
- CAS
5190-53-4- PubChem CID
- 229403
- DTXSID
DTXSID10966229- Nikkaji
- J1.410.152G
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 58.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 438
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…