1-(3,5-dichloro-2-methoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

C18H19Cl2NO3 — CID 3908964

IUPAC1-(3,5-dichloro-2-methoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(cc1OC)C(c1cc(Cl)cc(Cl)c1OC)NCC2
InChIInChI=1S/C18H19Cl2NO3/c1-22-15-6-10-4-5-21-17(12(10)9-16(15)23-2)13-7-11(19)8-14(20)18(13)24-3/h6-9,17,21H,4-5H2,1-3H3
InChIKeyJPOVQIKXJUQDIU-UHFFFAOYSA-N
MW368.26 g/mol
LogP4.25
Rot. Bonds4

About 1-(3,5-dichloro-2-methoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

1-(3,5-dichloro-2-methoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 3908964) has the molecular formula C18H19Cl2NO3 and a molecular weight of 368.26 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-methoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-(3,5-dichloro-2-methoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID3908964
Molecular FormulaC18H19Cl2NO3
Molecular Weight368.26 g/mol
Exact Mass367.07
IUPAC Name1-(3,5-dichloro-2-methoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(cc1OC)C(c1cc(Cl)cc(Cl)c1OC)NCC2
InChIInChI=1S/C18H19Cl2NO3/c1-22-15-6-10-4-5-21-17(12(10)9-16(15)23-2)13-7-11(19)8-14(20)18(13)24-3/h6-9,17,21H,4-5H2,1-3H3
InChIKeyJPOVQIKXJUQDIU-UHFFFAOYSA-N
XLogP4.25
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dichloro-2-methoxyphenyl)-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3327080
6,7-dimethoxy-1-(2-methoxy-3,5-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 3885623
1-(2,5-dichlorophenyl)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 3450149
4-chloro-2-(6-ethoxy-7-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)phenol
CID 5195515
1-chloro-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 141053533
6-(3-chloro-2-methoxy-5-methylphenyl)-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinoline
CID 4014042
1-(5-chloro-2-methoxy-3-methylphenyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 3965656
1-(5-bromo-2-methoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3969108
(1R)-6,7-dimethoxy-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline
CID 745498
(1R)-6-chloro-7-methoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 14198574
1-(4-chlorophenyl)-6-ethoxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 90485258
3-[[1-(5-chloro-2,4-dimethoxyphenyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]-N,N-dimethylpropan-1-amine
CID 3920392

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-methoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-(3,5-dichloro-2-methoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline (CID 3908964) is 1-(3,5-dichloro-2-methoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-(3,5-dichloro-2-methoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-(3,5-dichloro-2-methoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline is COc1cc2c(cc1OC)C(c1cc(Cl)cc(Cl)c1OC)NCC2.
What is the InChIKey of 1-(3,5-dichloro-2-methoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is JPOVQIKXJUQDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO3/c1-22-15-6-10-4-5-21-17(12(10)9-16(15)23-2)13-7-11(19)8-14(20)18(13)24-3/h6-9,17,21H,4-5H2,1-3H3.
What are the key properties of 1-(3,5-dichloro-2-methoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
1-(3,5-dichloro-2-methoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 368.26 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-methoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 3908964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).