4,4′-(1,3-Propanediyldi-4,1-piperazinediyl)bis[7-chloroquinoline]

C₂₉H₃₂Cl₂N₆CAS 4085-31-8535.52 g/mol

Open in Covalent MOL file

Aryl halide Tertiary amine

Properties

Molecular formula: C₂₉H₃₂Cl₂N₆
Molar mass: 535.52 g/mol
Exact mass: 534.2066 Da
Melting point: 198–200 °C
logP: 5.42Crippen estimate
Polar surface area: 38.7 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 6

Identifiers

CAS number

4085-31-8

SMILES

Clc1ccc2c(N3CCN(CCCN4CCN(c5ccnc6cc(Cl)ccc56)CC4)CC3)ccnc2c1

InChIKey

UCRHFBCYFMIWHC-UHFFFAOYSA-N

InChI

InChI=1S/C29H32Cl2N6/c30-22-2-4-24-26(20-22)32-8-6-28(24)36-16-12-34(13-17-36)10-1-11-35-14-18-37(19-15-35)29-7-9-33-27-21-23(31)3-5-25(27)29/h2-9,20-21H,1,10-19H2

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Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

Quinoline, 4,4′-(1,3-propanediyldi-4,1-piperazinediyl)bis[7-chloro-
Quinoline, 4,4′-(trimethylenedi-4,1-piperazinediyl)bis[7-chloro-
Piperaquinoline
Piperaquine

Work with 4,4′-(1,3-Propanediyldi-4,1-piperazinediyl)bis[7-chloroquinoline]

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Piperaquine phosphate85547-56-480 % similar 4-Amino-7-chloroquinoline1198-40-947 % similar Chloroquine54-05-746 % similar 7-Chloro-4-hydrazinylquinoline23834-14-245 % similar Hydroxychloroquine118-42-341 % similar 1-(3-Chlorophenyl)-4-(3-chloropropyl)piperazine39577-43-040 % similar Chloroquine sulfate132-73-039 % similar (±)-Chloroquine diphosphate50-63-539 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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