Piperazine, 1-(4-((4-oxo-2-phenyl-3(4H)quinazolinyl)amino)benzoyl)-4-phenyl-
Basic information
- CAS
131604-13-2- Standard SMILES
O=C(c1ccc(Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1)N1CCN(c2ccccc2)CC1- InChIKey
KJCGAWHUDKXEPA-UHFFFAOYSA-N- Molecular formula
- C31H27N5O2
- Average molar mass
- 501.6 g/mol
- Monoisotopic mass
- 501.21647512
Names & identifiers
- Preferred name
- Piperazine, 1-(4-((4-oxo-2-phenyl-3(4H)quinazolinyl)amino)benzoyl)-4-phenyl-
- IUPAC
- 2-phenyl-3-[4-(4-phenylpiperazine-1-carbonyl)anilino]quinazolin-4-one
Names & synonyms
Piperazine, 1-(4-((4-oxo-2-phenyl-3(4H)quinazolinyl)amino)benzoyl)-4-phenyl-1-(4-((4-Oxo-2-phenyl-3(4H)quinazolinyl)amino)benzoyl)-4-phenylpiperazine131604-13-2DTXSID10157130RefChem:372314DTXCID60796212-Phenyl-3-[4-(4-phenylpiperazine-1-carbonyl)anilino]quinazolin-4(3H)-one
Database identifiers
- CAS
131604-13-2- PubChem CID
- 3076522
- DTXSID
DTXSID10157130
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 848
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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