5-[(4-phenylmethoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride

C24H24ClNO3 — CID 46842656

IUPAC5-[(4-phenylmethoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride
SMILESCl.c1ccc(COc2ccc(CC3NCCc4cc5c(cc43)OCO5)cc2)cc1
InChIInChI=1S/C24H23NO3.ClH/c1-2-4-18(5-3-1)15-26-20-8-6-17(7-9-20)12-22-21-14-24-23(27-16-28-24)13-19(21)10-11-25-22;/h1-9,13-14,22,25H,10-12,15-16H2;1H
InChIKeyFRSVIWIMYATFKA-UHFFFAOYSA-N
MW409.91 g/mol
LogP4.85
Rot. Bonds5

About 5-[(4-phenylmethoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride

5-[(4-phenylmethoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride (PubChem CID 46842656) has the molecular formula C24H24ClNO3 and a molecular weight of 409.91 g/mol. Its IUPAC name is 5-[(4-phenylmethoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride.

Molecular Properties

Compound Name5-[(4-phenylmethoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride
PubChem CID46842656
Molecular FormulaC24H24ClNO3
Molecular Weight409.91 g/mol
Exact Mass409.14
IUPAC Name5-[(4-phenylmethoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride
SMILESCl.c1ccc(COc2ccc(CC3NCCc4cc5c(cc43)OCO5)cc2)cc1
InChIInChI=1S/C24H23NO3.ClH/c1-2-4-18(5-3-1)15-26-20-8-6-17(7-9-20)12-22-21-14-24-23(27-16-28-24)13-19(21)10-11-25-22;/h1-9,13-14,22,25H,10-12,15-16H2;1H
InChIKeyFRSVIWIMYATFKA-UHFFFAOYSA-N
XLogP4.85
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.91
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(4-phenylmethoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-phenylmethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 11278912
5-[(6,7-dimethoxynaphthalen-2-yl)methyl]-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride
CID 131878630
(1R)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 7157325
1-[(2,5-dimethoxyphenyl)methyl]-6-methoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 90073381
6-[(3,4-dimethoxyphenyl)methyl]-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinoline
CID 22643361
1-benzyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
CID 83970438
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-phenylmethoxyphenyl)methanamine;hydrochloride
CID 17291782
1-benzyl-7-octoxy-1,2,3,4-tetrahydroisoquinoline
CID 141386666
1-(1,3-benzodioxol-5-yl)-6-methoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 5227811
7-methoxy-1-[(E)-2-(6-methyl-1,3-benzodioxol-5-yl)ethenyl]-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 121395916
(1S)-6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 10969027
1-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 62373258

Frequently Asked Questions

What is the IUPAC name of 5-[(4-phenylmethoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride?
The IUPAC name of 5-[(4-phenylmethoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride (CID 46842656) is 5-[(4-phenylmethoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride.
What is the SMILES notation for 5-[(4-phenylmethoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride?
The canonical SMILES for 5-[(4-phenylmethoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride is Cl.c1ccc(COc2ccc(CC3NCCc4cc5c(cc43)OCO5)cc2)cc1.
What is the InChIKey of 5-[(4-phenylmethoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride?
The InChIKey is FRSVIWIMYATFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3.ClH/c1-2-4-18(5-3-1)15-26-20-8-6-17(7-9-20)12-22-21-14-24-23(27-16-28-24)13-19(21)10-11-25-22;/h1-9,13-14,22,25H,10-12,15-16H2;1H.
What are the key properties of 5-[(4-phenylmethoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride?
5-[(4-phenylmethoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride has a molecular weight of 409.91 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-phenylmethoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride is sourced from PubChem (CID 46842656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).