Basic information
- CAS
133331-86-9- Standard SMILES
ClCCN(CCCl)c1ccc(Oc2ccc(Nc3ccnc4ccccc34)cc2)cc1- InChIKey
FQTNPFCHUUDIOJ-UHFFFAOYSA-N- Molecular formula
- C25H23Cl2N3O
- Average molar mass
- 452.4 g/mol
- Monoisotopic mass
- 451.1218178
Names & identifiers
- Preferred name
- 4-Quinolinamine, N-[4-[4-[bis(2-chloroethyl)amino]phenoxy]phenyl]-
- IUPAC
- N-[4-[4-[bis(2-chloroethyl)amino]phenoxy]phenyl]quinolin-4-amine
Names & synonyms
133331-86-9N-(4-(4-(Bis(2-chloroethyl)amino)phenoxy)phenyl)quinolin-4-amineN-[4-[4-[bis(2-chloroethyl)amino]phenoxy]phenyl]quinolin-4-amineN-(4-{4-[bis(2-chloroethyl)amino]phenoxy}phenyl)quinolin-4-amine4-Quinolinamine, N-[4-[4-[bis(2-chloroethyl)amino]phenoxy]phenyl]-DTXSID00276420
Database identifiers
- CAS
133331-86-9- PubChem CID
- 149869
- DTXSID
DTXSID00276420- Nikkaji
- J434.150C
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 503
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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