Basic information
- CAS
5442-70-6- Standard SMILES
CCN(CC)CCC(CNc1c(C)cnc2cc(Cl)ccc12)c1ccc(Cl)cc1- InChIKey
BEHRYSUQMOVSKT-UHFFFAOYSA-N- Molecular formula
- C24H29Cl2N3
- Average molar mass
- 430.4 g/mol
- Monoisotopic mass
- 429.1738533
Names & identifiers
- Preferred name
- N-(7-chloro-3-methylquinolin-4-yl)-2-(4-chlorophenyl)-N',N'-diethylbutane-1,4-diamine
- IUPAC
- N-(7-chloro-3-methylquinolin-4-yl)-2-(4-chlorophenyl)-N',N'-diethylbutane-1,4-diamine
Names & synonyms
NSC13724NSC-137245442-70-6
Database identifiers
- CAS
5442-70-6- PubChem CID
- 224873
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 465
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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