6,7-dimethoxy-1-(4-methoxyphenyl)isoquinoline

C18H17NO3 — CID 50923051

IUPAC6,7-dimethoxy-1-(4-methoxyphenyl)isoquinoline
SMILESCOc1ccc(-c2nccc3cc(OC)c(OC)cc23)cc1
InChIInChI=1S/C18H17NO3/c1-20-14-6-4-12(5-7-14)18-15-11-17(22-3)16(21-2)10-13(15)8-9-19-18/h4-11H,1-3H3
InChIKeyZRQQZVXDJXPHFE-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.93
Rot. Bonds4

About 6,7-dimethoxy-1-(4-methoxyphenyl)isoquinoline

6,7-dimethoxy-1-(4-methoxyphenyl)isoquinoline (PubChem CID 50923051) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 6,7-dimethoxy-1-(4-methoxyphenyl)isoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-1-(4-methoxyphenyl)isoquinoline
PubChem CID50923051
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name6,7-dimethoxy-1-(4-methoxyphenyl)isoquinoline
SMILESCOc1ccc(-c2nccc3cc(OC)c(OC)cc23)cc1
InChIInChI=1S/C18H17NO3/c1-20-14-6-4-12(5-7-14)18-15-11-17(22-3)16(21-2)10-13(15)8-9-19-18/h4-11H,1-3H3
InChIKeyZRQQZVXDJXPHFE-UHFFFAOYSA-N
XLogP3.93
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-(4-methoxyphenyl)isoquinoline?
The IUPAC name of 6,7-dimethoxy-1-(4-methoxyphenyl)isoquinoline (CID 50923051) is 6,7-dimethoxy-1-(4-methoxyphenyl)isoquinoline.
What is the SMILES notation for 6,7-dimethoxy-1-(4-methoxyphenyl)isoquinoline?
The canonical SMILES for 6,7-dimethoxy-1-(4-methoxyphenyl)isoquinoline is COc1ccc(-c2nccc3cc(OC)c(OC)cc23)cc1.
What is the InChIKey of 6,7-dimethoxy-1-(4-methoxyphenyl)isoquinoline?
The InChIKey is ZRQQZVXDJXPHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-20-14-6-4-12(5-7-14)18-15-11-17(22-3)16(21-2)10-13(15)8-9-19-18/h4-11H,1-3H3.
What are the key properties of 6,7-dimethoxy-1-(4-methoxyphenyl)isoquinoline?
6,7-dimethoxy-1-(4-methoxyphenyl)isoquinoline has a molecular weight of 295.34 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-(4-methoxyphenyl)isoquinoline is sourced from PubChem (CID 50923051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).