Basic information
- Standard SMILES
CN1CCN(C(=O)c2ccc(-c3ccc4c(C=O)c(O)ccc4n3)cc2)CC1- InChIKey
MGMZJRZKBPOSFR-UHFFFAOYSA-N- Molecular formula
- C22H21N3O3
- Average molar mass
- 375.4 g/mol
Names & identifiers
- Preferred name
- 6-Hydroxy-2-(4-(4-methylpiperazine-1-carbonyl)phenyl)quinoline-5-carbaldehyde
- IUPAC
- 6-hydroxy-2-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinoline-5-carbaldehyde
Names & synonyms
CHEMBL3668056SCHEMBL14916034MGMZJRZKBPOSFR-UHFFFAOYSA-NBDBM160373US9040714, 416-Hydroxy-2-(4-(4-methylpiperazine-1-carbonyl)phenyl)quinoline-5-carbaldehyde
Database identifiers
- PubChem CID
- 54575929
- ChEMBL
CHEMBL3668056
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 73.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 555
Related reactions
2 records
Compound notes
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