Basic information
- Standard SMILES
CCN(CC)Cc1ccc(-c2ccc3c(Nc4cc(OC)c(Cl)cc4Cl)c(C#N)cnc3c2)cc1- InChIKey
NLUNMTAHHPDSJF-UHFFFAOYSA-N- Molecular formula
- C28H26Cl2N4O
- Average molar mass
- 505.4 g/mol
- Monoisotopic mass
- 504.1483669
Names & identifiers
- Preferred name
- 4-(2,4-Dichloro-5-methoxyanilino)-7-[4-(diethylaminomethyl)phenyl]quinoline-3-carbonitrile
- IUPAC
- 4-(2,4-dichloro-5-methoxyanilino)-7-[4-(diethylaminomethyl)phenyl]quinoline-3-carbonitrile
Names & synonyms
SCHEMBL3223515
Database identifiers
- PubChem CID
- 9935932
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 61.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 704
Related reactions
1 records
Compound notes
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