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Basic information
- Standard SMILES
COc1ccc(CNC(c2ccc(Cl)nc2)(c2ccc3[nH]c(=O)c(-c4cccc(Cl)c4)cc3c2)c2cncn2C)cc1- InChIKey
KJRLBPROLGEQEC-UHFFFAOYSA-N- Molecular formula
- C33H27Cl2N5O2
- Average molar mass
- 596.5 g/mol
- Monoisotopic mass
- 595.1541805
Names & identifiers
- Preferred name
- 3-(3-Chloro-phenyl)-6-[(6-chloro-pyridin-3-yl)-(4-methoxy-benzylamino)-(3-methyl-3H-imidazol-4-yl)-methyl]-1H-quinolin-2-one
- IUPAC
- 3-(3-chlorophenyl)-6-[(6-chloro-3-pyridinyl)-[(4-methoxyphenyl)methylamino]-(3-methylimidazol-4-yl)methyl]-1H-quinolin-2-one
Names & synonyms
KJRLBPROLGEQEC-UHFFFAOYSA-N3-(3-Chloro-phenyl)-6-[(6-chloro-pyridin-3-yl)-(4-methoxy-benzylamino)-(3-methyl-3H-imidazol-4-yl)-methyl]-1H-quinolin-2-one
Database identifiers
- PubChem CID
- 86758596
Properties
Computed structural propertiesFilling in
- XLogP
- 5.6
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 961
Related reactions
1 records
Compound notes
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