7-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-1,3-dimethylisoquinolin-8-ol

C24H23NO3 — CID 135513142

IUPAC7-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-1,3-dimethylisoquinolin-8-ol
SMILESCOc1cccc2c(-c3ccc4cc(C)nc(C)c4c3O)c(C)cc(OC)c12
InChIInChI=1S/C24H23NO3/c1-13-11-20(28-5)23-17(7-6-8-19(23)27-4)21(13)18-10-9-16-12-14(2)25-15(3)22(16)24(18)26/h6-12,26H,1-5H3
InChIKeyJTZHYHRJMAAGGY-UHFFFAOYSA-N
MW373.45 g/mol
LogP5.70
Rot. Bonds3

About 7-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-1,3-dimethylisoquinolin-8-ol

7-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-1,3-dimethylisoquinolin-8-ol (PubChem CID 135513142) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is 7-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-1,3-dimethylisoquinolin-8-ol.

Molecular Properties

Compound Name7-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-1,3-dimethylisoquinolin-8-ol
PubChem CID135513142
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name7-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-1,3-dimethylisoquinolin-8-ol
SMILESCOc1cccc2c(-c3ccc4cc(C)nc(C)c4c3O)c(C)cc(OC)c12
InChIInChI=1S/C24H23NO3/c1-13-11-20(28-5)23-17(7-6-8-19(23)27-4)21(13)18-10-9-16-12-14(2)25-15(3)22(16)24(18)26/h6-12,26H,1-5H3
InChIKeyJTZHYHRJMAAGGY-UHFFFAOYSA-N
XLogP5.70
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.45
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-1,3-dimethylisoquinolin-8-ol?
The IUPAC name of 7-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-1,3-dimethylisoquinolin-8-ol (CID 135513142) is 7-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-1,3-dimethylisoquinolin-8-ol.
What is the SMILES notation for 7-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-1,3-dimethylisoquinolin-8-ol?
The canonical SMILES for 7-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-1,3-dimethylisoquinolin-8-ol is COc1cccc2c(-c3ccc4cc(C)nc(C)c4c3O)c(C)cc(OC)c12.
What is the InChIKey of 7-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-1,3-dimethylisoquinolin-8-ol?
The InChIKey is JTZHYHRJMAAGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-13-11-20(28-5)23-17(7-6-8-19(23)27-4)21(13)18-10-9-16-12-14(2)25-15(3)22(16)24(18)26/h6-12,26H,1-5H3.
What are the key properties of 7-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-1,3-dimethylisoquinolin-8-ol?
7-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-1,3-dimethylisoquinolin-8-ol has a molecular weight of 373.45 g/mol, XLogP of 5.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-1,3-dimethylisoquinolin-8-ol is sourced from PubChem (CID 135513142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).