Basic information
- Standard SMILES
CN(C)c1ccc(C(=O)NCc2cn(-c3ccccc3)c3cc(Cl)ccc3c2=O)cn1- InChIKey
IJABPBRMXIKKJQ-UHFFFAOYSA-N- Molecular formula
- C24H21ClN4O2
- Average molar mass
- 432.9 g/mol
- Monoisotopic mass
- 432.1353036
Names & identifiers
- Preferred name
- N-(7-Chloro-4-oxo-1-phenyl-1,4-dihydro-quinolin-3-ylmethyl)-6-dimethylamino-nicotinamide
- IUPAC
- N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-(dimethylamino)pyridine-3-carboxamide
Names & synonyms
CHEMBL3679499SCHEMBL14575739IJABPBRMXIKKJQ-UHFFFAOYSA-NBDBM100519US8501732, I-79N-(7-Chloro-4-oxo-1-phenyl-1,4-dihydro-quinolin-3-ylmethyl)-6-dimethylamino-nicotinamide
Database identifiers
- PubChem CID
- 71208526
- ChEMBL
CHEMBL3679499
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 691
Related reactions
2 records
Compound notes
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