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

C20H22Cl6N2 — CID 45262913

IUPAC7,8-dichloro-2-[2-(7,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline;dihydrochloride
SMILESCl.Cl.Clc1ccc2c(c1Cl)CN(CCN1CCc3ccc(Cl)c(Cl)c3C1)CC2
InChIInChI=1S/C20H20Cl4N2.2ClH/c21-17-3-1-13-5-7-25(11-15(13)19(17)23)9-10-26-8-6-14-2-4-18(22)20(24)16(14)12-26;;/h1-4H,5-12H2;2*1H
InChIKeyUTDYXLCJAXKKOB-UHFFFAOYSA-N
MW503.13 g/mol
LogP6.56
Rot. Bonds3

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

7,8-dichloro-2-[2-(7,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline;dihydrochloride (PubChem CID 45262913) has the molecular formula C20H22Cl6N2 and a molecular weight of 503.13 g/mol. Its IUPAC name is 7,8-dichloro-2-[2-(7,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline;dihydrochloride.

Molecular Properties

Compound Name7,8-dichloro-2-[2-(7,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline;dihydrochloride
PubChem CID45262913
Molecular FormulaC20H22Cl6N2
Molecular Weight503.13 g/mol
Exact Mass499.99
IUPAC Name7,8-dichloro-2-[2-(7,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline;dihydrochloride
SMILESCl.Cl.Clc1ccc2c(c1Cl)CN(CCN1CCc3ccc(Cl)c(Cl)c3C1)CC2
InChIInChI=1S/C20H20Cl4N2.2ClH/c21-17-3-1-13-5-7-25(11-15(13)19(17)23)9-10-26-8-6-14-2-4-18(22)20(24)16(14)12-26;;/h1-4H,5-12H2;2*1H
InChIKeyUTDYXLCJAXKKOB-UHFFFAOYSA-N
XLogP6.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.13
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Launch Full Analysis

Related Compounds

1-Benzyl-4-(3,4-dichlorobenzyl)piperazine
CID 764022
2-[2-(3,4-Dichloro-phenyl)-ethyl]-octahydro-pyrido[1,2-a]pyrazine
CID 9926814
1-[2-(3,4-Dichloro-phenyl)-ethyl]-4-(3-phenyl-propyl)-piperazine
CID 401827
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
6,7-Dichloro-2-(2-pyrrolidin-1-yl-ethyl)-1,2,3,4-tetrahydro-isoquinoline
CID 10402464
cis-7-(4-Chloro-phenyl)-2-methyl-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline
CID 13457935
1,4-Bis-[2-(3,4-dichloro-phenyl)-ethyl]-piperazine
CID 44314603
7,8-dichloro-2-[3-(7,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3,4-dihydro-1H-isoquinoline;dihydrochloride
CID 45262903
2-[4,4-bis(4-chlorophenyl)but-3-enyl]-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 134133632
7,8-dichloro-2-[7-(7,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)heptyl]-3,4-dihydro-1H-isoquinoline;dihydrochloride
CID 20299667
7,8-dichloro-2-[5-(7,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)pentyl]-3,4-dihydro-1H-isoquinoline;dihydrochloride
CID 20299673

Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-2-[2-(7,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline;dihydrochloride?
The IUPAC name of 7,8-dichloro-2-[2-(7,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline;dihydrochloride (CID 45262913) is 7,8-dichloro-2-[2-(7,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline;dihydrochloride.
What is the SMILES notation for 7,8-dichloro-2-[2-(7,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline;dihydrochloride?
The canonical SMILES for 7,8-dichloro-2-[2-(7,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline;dihydrochloride is Cl.Cl.Clc1ccc2c(c1Cl)CN(CCN1CCc3ccc(Cl)c(Cl)c3C1)CC2.
What is the InChIKey of 7,8-dichloro-2-[2-(7,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline;dihydrochloride?
The InChIKey is UTDYXLCJAXKKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl4N2.2ClH/c21-17-3-1-13-5-7-25(11-15(13)19(17)23)9-10-26-8-6-14-2-4-18(22)20(24)16(14)12-26;;/h1-4H,5-12H2;2*1H.
What are the key properties of 7,8-dichloro-2-[2-(7,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline;dihydrochloride?
7,8-dichloro-2-[2-(7,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline;dihydrochloride has a molecular weight of 503.13 g/mol, XLogP of 6.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-2-[2-(7,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline;dihydrochloride is sourced from PubChem (CID 45262913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).