N-[[4-[Bis(2-chloroethyl)amino]phenyl]methylideneamino]-7-chloro-quino lin-4-amine

HCID 329664

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Basic information

CAS: 91919-60-7
Standard SMILES: ClCCN(CCCl)c1ccc(C=NNc2ccnc3cc(Cl)ccc23)cc1
InChIKey: FOMASLNRGGCNQQ-UHFFFAOYSA-N
Molecular formula: C20H19Cl3N4
Average molar mass: 421.7 g/mol
Monoisotopic mass: 420.06753

Names & identifiers

Preferred name: N-[[4-[Bis(2-chloroethyl)amino]phenyl]methylideneamino]-7-chloro-quino lin-4-amine
IUPAC: N-[[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-7-chloroquinolin-4-amine

Names & synonyms

91919-60-7N-[[4-[BIS(2-CHLOROETHYL)AMINO]PHENYL]METHYLIDENEAMINO]-7-CHLORO-QUINO LIN-4-AMINEDTXSID90317275N,N-Bis(2-chloroethyl)-4-{[2-(7-chloroquinolin-4-yl)hydrazinylidene]methyl}aniline

Database identifiers

CAS: 91919-60-7
PubChem CID: 329664
DTXSID: DTXSID90317275

Properties

Computed structural properties

XLogP: 5.7
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 27
Formal charge: 0
Complexity: 451

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