3(4H)-Quinazolinepropanoic acid, 4-oxo-2-phenyl-, compd. with piperazine (2:1)
Basic information
- CAS
70203-79-1- Standard SMILES
C1CNCCN1.O=C(O)CCn1c(-c2ccccc2)nc2ccccc2c1=O.O=C(O)CCn1c(-c2ccccc2)nc2ccccc2c1=O- InChIKey
PHPRFZIYXBSTDQ-UHFFFAOYSA-N- Molecular formula
- C38H38N6O6
- Average molar mass
- 674.7 g/mol
- Monoisotopic mass
- 674.28528295
Names & identifiers
- Preferred name
- 3(4H)-Quinazolinepropanoic acid, 4-oxo-2-phenyl-, compd. with piperazine (2:1)
- IUPAC
- bis(3-(4-oxo-2-phenylquinazolin-3-yl)propanoic acid);piperazine
Names & synonyms
Piperazine, bis(4-oxo-2-phenyl-3(4H)-quinazolinepropanoate)70203-79-1DTXSID70220475RefChem:269747DTXCID701429663-(4-Oxo-2-phenylquinazolin-3(4H)-yl)propanoic acid--piperazine (2/1)
Database identifiers
- CAS
70203-79-1- PubChem CID
- 3053641
- DTXSID
DTXSID70220475
Properties
Computed structural properties
- Topological polar surface area
- 164 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 495
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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