Basic information
- CAS
7142-93-0- Standard SMILES
CC1CNCC(C)N1.O=C(O)c1cc(-c2ccccc2)nc2ccccc12- InChIKey
HWVWVCZWLFULQF-UHFFFAOYSA-N- Molecular formula
- C22H25N3O2
- Average molar mass
- 363.5 g/mol
- Monoisotopic mass
- 363.19467705
Names & identifiers
- Preferred name
- 2-Phenylquinoline-4-carboxylic acid-2,6-dimethylpiperazine(1:1)
- IUPAC
- 2,6-dimethylpiperazine;2-phenylquinoline-4-carboxylic acid
Names & synonyms
7142-93-02-phenylquinoline-4-carboxylic acid- 2,6-dimethylpiperazine(1:1)NSC42117DTXSID00285517NSC-421172-Phenylquinoline-4-carboxylic acid--2,6-dimethylpiperazine (1/1)
Database identifiers
- CAS
7142-93-0- PubChem CID
- 238002
- DTXSID
DTXSID00285517
Properties
Computed structural properties
- Topological polar surface area
- 74.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 390
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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