Basic information
- Standard SMILES
Cc1cc(C)cc(-c2c(OCCC3CCCCN3C)c3cc([N+](=O)[O-])c(Cl)cc3[nH]c2=O)c1- InChIKey
WCHAXXSYDDEDIK-UHFFFAOYSA-N- Molecular formula
- C25H28ClN3O4
- Average molar mass
- 470 g/mol
Names & identifiers
- Preferred name
- 7-chloro-3-(3,5-dimethylphenyl)-4-[2-(1-methylpiperidin-2-yl)-ethoxy]-6-nitro-1H-quinolin-2-one
- IUPAC
- 7-chloro-3-(3,5-dimethylphenyl)-4-[2-(1-methylpiperidin-2-yl)ethoxy]-6-nitro-1H-quinolin-2-one
Names & synonyms
CHEMBL87020SCHEMBL8146917WCHAXXSYDDEDIK-UHFFFAOYSA-NBDBM500811377-Chloro-3-(3,5-dimethyl-phenyl)-4-[2-(1-methyl-piperidin-2-yl)-ethoxy]-6-nitro-1H-quinolin-2-one7-chloro-3-(3,5-dimethylphenyl)-4-[2-(1-methylpiperidin-2-yl)-ethoxy]-6-nitro-1H-quinolin-2-one
Database identifiers
- PubChem CID
- 9982147
- ChEMBL
CHEMBL87020- Nikkaji
- J1.177.400H
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 87.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 759
Related reactions
2 records
Compound notes
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