Basic information
- Standard SMILES
O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1ccc(N(CCO)CCO)nc1- InChIKey
RVJQZKKEANLZAL-UHFFFAOYSA-N- Molecular formula
- C26H25ClN4O4
- Average molar mass
- 493 g/mol
- Monoisotopic mass
- 492.156433
Names & identifiers
- Preferred name
- 6-[Bis-(2-hydroxy-ethyl)-amino]-N-(7-chloro-4-oxo-1-phenyl-1,4-dihydro-quinolin-3-yl-methyl)-nicotinamide
- IUPAC
- 6-[bis(2-hydroxyethyl)amino]-N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]pyridine-3-carboxamide
Names & synonyms
CHEMBL3679484SCHEMBL14575521RVJQZKKEANLZAL-UHFFFAOYSA-NBDBM100504US8501732, I-646-[Bis-(2-hydroxy-ethyl)-amino]-N-(7-chloro-4-oxo-1-phenyl-1,4-dihydro-quinolin-3-yl-methyl)-nicotinamide
Database identifiers
- PubChem CID
- 71208373
- ChEMBL
CHEMBL3679484
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 754
Related reactions
2 records
Compound notes
Loading…