Chloroquine-ethyl phenyl mustard

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Basic information

CAS: 4465-92-3
Standard SMILES: Cl.ClCCN(CCCl)c1ccc(CCNc2ccnc3cc(Cl)ccc23)cc1
InChIKey: GBIRJUAVGJFGSS-UHFFFAOYSA-N
Molecular formula: C21H23Cl4N3
Average molar mass: 459.2 g/mol
Monoisotopic mass: 457.064609

Names & identifiers

Preferred name: Chloroquine-ethyl phenyl mustard
IUPAC: N-[2-[4-[bis(2-chloroethyl)amino]phenyl]ethyl]-7-chloroquinolin-4-amine;hydrochloride

Names & synonyms

Chloroquine-ethyl phenyl mustardNSC-50982I15USM33QSDTXSID701962624-(p-Bis(beta-chloroethylamino)phenylethylamino)-7-chloroquinoline monohydrochlorideQuinoline, 4-(p-bis(2-chloroethyl)aminophenylethylamino)-7-chloro-, monohydrochlorideQuinoline, 7-chloro-4-((p-(bis(2-chloroethyl)amino)phenethyl)amino)-, monohydrochloride4-QUINOLINAMINE, N-(2-(4-(BIS(2-CHLOROETHYL)AMINO)PHENYL)ETHYL)-7-CHLORO-, HYDROCHLORIDE (1:1)4-QUINOLINAMINE, N-(2-(4-(BIS(2-CHLOROETHYL)AMINO)PHENYL)ETHYL)-7-CHLORO-, MONOHYDROCHLORIDE4-Quinolinamine, N-[2-[4-[bis(2-chloroethyl)amino]phenyl]ethyl]-7-chloro-, hydrochloride (1:1)RefChem:125508DTXCID80118753

Show more names

Quinoline, 7-chloro-4-((p-(bis(2-chloroethyl)amino)phenethyl)amino)-, monohydrochloride (8CI)4465-92-3UNII-I15USM33QSNSC509824-[[[[p-Bis(.beta.-chloroethyl)amino]phenyl]ethyl]amino]-7-chloroquinoline monohydrochlorideN-(2-{4-[Bis(2-chloroethyl)amino]phenyl}ethyl)-7-chloroquinolin-4-amine--hydrogen chloride (1/1)

Database identifiers

CAS: 4465-92-3
PubChem CID: 78216
DTXSID: DTXSID70196262
UNII: I15USM33QS

Properties

Computed structural properties

Topological polar surface area: 28.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 9
Heavy atoms: 28
Formal charge: 0
Complexity: 411

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Compound notes

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