7,8-dichloro-2-[3-(7,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3,4-dihydro-1H-isoquinoline;dihydrochloride

C21H24Cl6N2 — CID 45262903

IUPAC7,8-dichloro-2-[3-(7,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3,4-dihydro-1H-isoquinoline;dihydrochloride
SMILESCl.Cl.Clc1ccc2c(c1Cl)CN(CCCN1CCc3ccc(Cl)c(Cl)c3C1)CC2
InChIInChI=1S/C21H22Cl4N2.2ClH/c22-18-4-2-14-6-10-26(12-16(14)20(18)24)8-1-9-27-11-7-15-3-5-19(23)21(25)17(15)13-27;;/h2-5H,1,6-13H2;2*1H
InChIKeyLOKAINAGJODVEM-UHFFFAOYSA-N
MW517.16 g/mol
LogP6.95
Rot. Bonds4

About 7,8-dichloro-2-[3-(7,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3,4-dihydro-1H-isoquinoline;dihydrochloride

7,8-dichloro-2-[3-(7,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3,4-dihydro-1H-isoquinoline;dihydrochloride (PubChem CID 45262903) has the molecular formula C21H24Cl6N2 and a molecular weight of 517.16 g/mol. Its IUPAC name is 7,8-dichloro-2-[3-(7,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3,4-dihydro-1H-isoquinoline;dihydrochloride.

Molecular Properties

Compound Name7,8-dichloro-2-[3-(7,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3,4-dihydro-1H-isoquinoline;dihydrochloride
PubChem CID45262903
Molecular FormulaC21H24Cl6N2
Molecular Weight517.16 g/mol
Exact Mass514.01
IUPAC Name7,8-dichloro-2-[3-(7,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3,4-dihydro-1H-isoquinoline;dihydrochloride
SMILESCl.Cl.Clc1ccc2c(c1Cl)CN(CCCN1CCc3ccc(Cl)c(Cl)c3C1)CC2
InChIInChI=1S/C21H22Cl4N2.2ClH/c22-18-4-2-14-6-10-26(12-16(14)20(18)24)8-1-9-27-11-7-15-3-5-19(23)21(25)17(15)13-27;;/h2-5H,1,6-13H2;2*1H
InChIKeyLOKAINAGJODVEM-UHFFFAOYSA-N
XLogP6.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.16
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7,8-dichloro-2-[3-(7,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3,4-dihydro-1H-isoquinoline;dihydrochloride with MolForge

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Related Compounds

7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline
CID 123920
1-Benzyl-4-(3,4-dichlorobenzyl)piperazine
CID 764022
(6S,10bR)-6-(3,4-dichlorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
CID 13646516
6-(3,4-Dichloro-phenyl)-1,2,3,5,6,10b-hexahydro-pyrrolo[2,1-a]isoquinoline
CID 44384230
7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline hydrochloride
CID 123919
2,2'-Hexylene-bis(7,8-dichloro-1,2,3,4-tetrahydroisoquinoline)dihydrochloride
CID 20299671
2,2'-Butylene-bis(7,8-dichloro-1,2,3,4-tetrahydroisoquinoline)dihydrochloride
CID 20299685
7,8-dichloro-2-[2-(7,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline;dihydrochloride
CID 45262913
6,7-Dichloro-2-(2-pyrrolidin-1-yl-ethyl)-1,2,3,4-tetrahydro-isoquinoline
CID 10402464
(6S,10bS)-6-(3,4-dichlorophenyl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
CID 13646512
(1S,9aR)-1-[(Z)-2-(3,4-dichlorophenyl)-2-phenylethenyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 118717812
2-[4,4-bis(4-chlorophenyl)but-3-enyl]-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 134133632

Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-2-[3-(7,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3,4-dihydro-1H-isoquinoline;dihydrochloride?
The IUPAC name of 7,8-dichloro-2-[3-(7,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3,4-dihydro-1H-isoquinoline;dihydrochloride (CID 45262903) is 7,8-dichloro-2-[3-(7,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3,4-dihydro-1H-isoquinoline;dihydrochloride.
What is the SMILES notation for 7,8-dichloro-2-[3-(7,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3,4-dihydro-1H-isoquinoline;dihydrochloride?
The canonical SMILES for 7,8-dichloro-2-[3-(7,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3,4-dihydro-1H-isoquinoline;dihydrochloride is Cl.Cl.Clc1ccc2c(c1Cl)CN(CCCN1CCc3ccc(Cl)c(Cl)c3C1)CC2.
What is the InChIKey of 7,8-dichloro-2-[3-(7,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3,4-dihydro-1H-isoquinoline;dihydrochloride?
The InChIKey is LOKAINAGJODVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl4N2.2ClH/c22-18-4-2-14-6-10-26(12-16(14)20(18)24)8-1-9-27-11-7-15-3-5-19(23)21(25)17(15)13-27;;/h2-5H,1,6-13H2;2*1H.
What are the key properties of 7,8-dichloro-2-[3-(7,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3,4-dihydro-1H-isoquinoline;dihydrochloride?
7,8-dichloro-2-[3-(7,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3,4-dihydro-1H-isoquinoline;dihydrochloride has a molecular weight of 517.16 g/mol, XLogP of 6.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-2-[3-(7,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3,4-dihydro-1H-isoquinoline;dihydrochloride is sourced from PubChem (CID 45262903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).