Basic information
- Standard SMILES
O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1ccc(N2CCCC2)nc1- InChIKey
RUQWOHJJIMCQMH-UHFFFAOYSA-N- Molecular formula
- C26H23ClN4O2
- Average molar mass
- 458.9 g/mol
- Monoisotopic mass
- 458.1509537
Names & identifiers
- Preferred name
- N-(7-Chloro-4-oxo-1-phenyl-1,4-dihydro-quinolin-3-ylmethyl)-6-pyrrolidin-1-yl-nicotin-amide
- IUPAC
- N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
Names & synonyms
CHEMBL3679504SCHEMBL14576180RUQWOHJJIMCQMH-UHFFFAOYSA-NBDBM100524PMID25991433-Compound-E4US8501732, I-84N-(7-Chloro-4-oxo-1-phenyl-1,4-dihydro-quinolin-3-ylmethyl)-6-pyrrolidin-1-yl-nicotin-amide
Database identifiers
- PubChem CID
- 71208846
- ChEMBL
CHEMBL3679504
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 747
Related reactions
2 records
Compound notes
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