5-[(6,7-dimethoxynaphthalen-2-yl)methyl]-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride

C23H24ClNO4 — CID 131878630

IUPAC5-[(6,7-dimethoxynaphthalen-2-yl)methyl]-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride
SMILESCOc1cc2ccc(CC3NCCc4cc5c(cc43)OCO5)cc2cc1OC.Cl
InChIInChI=1S/C23H23NO4.ClH/c1-25-20-9-15-4-3-14(7-17(15)11-21(20)26-2)8-19-18-12-23-22(27-13-28-23)10-16(18)5-6-24-19;/h3-4,7,9-12,19,24H,5-6,8,13H2,1-2H3;1H
InChIKeyVFGLZOINOGRJCW-UHFFFAOYSA-N
MW413.90 g/mol
LogP4.44
Rot. Bonds4

About 5-[(6,7-dimethoxynaphthalen-2-yl)methyl]-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride

5-[(6,7-dimethoxynaphthalen-2-yl)methyl]-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride (PubChem CID 131878630) has the molecular formula C23H24ClNO4 and a molecular weight of 413.90 g/mol. Its IUPAC name is 5-[(6,7-dimethoxynaphthalen-2-yl)methyl]-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride.

Molecular Properties

Compound Name5-[(6,7-dimethoxynaphthalen-2-yl)methyl]-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride
PubChem CID131878630
Molecular FormulaC23H24ClNO4
Molecular Weight413.90 g/mol
Exact Mass413.14
IUPAC Name5-[(6,7-dimethoxynaphthalen-2-yl)methyl]-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride
SMILESCOc1cc2ccc(CC3NCCc4cc5c(cc43)OCO5)cc2cc1OC.Cl
InChIInChI=1S/C23H23NO4.ClH/c1-25-20-9-15-4-3-14(7-17(15)11-21(20)26-2)8-19-18-12-23-22(27-13-28-23)10-16(18)5-6-24-19;/h3-4,7,9-12,19,24H,5-6,8,13H2,1-2H3;1H
InChIKeyVFGLZOINOGRJCW-UHFFFAOYSA-N
XLogP4.44
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.90
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(6,7-dimethoxynaphthalen-2-yl)methyl]-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride with MolForge

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Related Compounds

6-[(3,4-dimethoxyphenyl)methyl]-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinoline
CID 22643361
(1S)-6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 10969027
(1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 688594
5-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-2-methoxyphenol;hydrochloride
CID 2752280
5-[(4-phenylmethoxyphenyl)methyl]-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride
CID 46842656
6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 22643314
7-ethoxy-6-methoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 166067832
(1R)-7-methoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 7055406
(1R)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 7157325
6-methoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 143954648
6,7-diethoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 166067834
5-[3-methoxy-4-(2-methylpropoxy)phenyl]-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
CID 3540537

Frequently Asked Questions

What is the IUPAC name of 5-[(6,7-dimethoxynaphthalen-2-yl)methyl]-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride?
The IUPAC name of 5-[(6,7-dimethoxynaphthalen-2-yl)methyl]-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride (CID 131878630) is 5-[(6,7-dimethoxynaphthalen-2-yl)methyl]-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride.
What is the SMILES notation for 5-[(6,7-dimethoxynaphthalen-2-yl)methyl]-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride?
The canonical SMILES for 5-[(6,7-dimethoxynaphthalen-2-yl)methyl]-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride is COc1cc2ccc(CC3NCCc4cc5c(cc43)OCO5)cc2cc1OC.Cl.
What is the InChIKey of 5-[(6,7-dimethoxynaphthalen-2-yl)methyl]-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride?
The InChIKey is VFGLZOINOGRJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4.ClH/c1-25-20-9-15-4-3-14(7-17(15)11-21(20)26-2)8-19-18-12-23-22(27-13-28-23)10-16(18)5-6-24-19;/h3-4,7,9-12,19,24H,5-6,8,13H2,1-2H3;1H.
What are the key properties of 5-[(6,7-dimethoxynaphthalen-2-yl)methyl]-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride?
5-[(6,7-dimethoxynaphthalen-2-yl)methyl]-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride has a molecular weight of 413.90 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6,7-dimethoxynaphthalen-2-yl)methyl]-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride is sourced from PubChem (CID 131878630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).