6,7-dimethoxy-3-(4-methoxyphenyl)-1-methylisoquinoline

C19H19NO3 — CID 3717793

IUPAC6,7-dimethoxy-3-(4-methoxyphenyl)-1-methylisoquinoline
SMILESCOc1ccc(-c2cc3cc(OC)c(OC)cc3c(C)n2)cc1
InChIInChI=1S/C19H19NO3/c1-12-16-11-19(23-4)18(22-3)10-14(16)9-17(20-12)13-5-7-15(21-2)8-6-13/h5-11H,1-4H3
InChIKeyXETAVAZOAGNSBY-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.24
Rot. Bonds4

About 6,7-dimethoxy-3-(4-methoxyphenyl)-1-methylisoquinoline

6,7-dimethoxy-3-(4-methoxyphenyl)-1-methylisoquinoline (PubChem CID 3717793) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 6,7-dimethoxy-3-(4-methoxyphenyl)-1-methylisoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-3-(4-methoxyphenyl)-1-methylisoquinoline
PubChem CID3717793
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name6,7-dimethoxy-3-(4-methoxyphenyl)-1-methylisoquinoline
SMILESCOc1ccc(-c2cc3cc(OC)c(OC)cc3c(C)n2)cc1
InChIInChI=1S/C19H19NO3/c1-12-16-11-19(23-4)18(22-3)10-14(16)9-17(20-12)13-5-7-15(21-2)8-6-13/h5-11H,1-4H3
InChIKeyXETAVAZOAGNSBY-UHFFFAOYSA-N
XLogP4.24
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-(4-methoxyphenyl)-1-methylisoquinoline?
The IUPAC name of 6,7-dimethoxy-3-(4-methoxyphenyl)-1-methylisoquinoline (CID 3717793) is 6,7-dimethoxy-3-(4-methoxyphenyl)-1-methylisoquinoline.
What is the SMILES notation for 6,7-dimethoxy-3-(4-methoxyphenyl)-1-methylisoquinoline?
The canonical SMILES for 6,7-dimethoxy-3-(4-methoxyphenyl)-1-methylisoquinoline is COc1ccc(-c2cc3cc(OC)c(OC)cc3c(C)n2)cc1.
What is the InChIKey of 6,7-dimethoxy-3-(4-methoxyphenyl)-1-methylisoquinoline?
The InChIKey is XETAVAZOAGNSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-12-16-11-19(23-4)18(22-3)10-14(16)9-17(20-12)13-5-7-15(21-2)8-6-13/h5-11H,1-4H3.
What are the key properties of 6,7-dimethoxy-3-(4-methoxyphenyl)-1-methylisoquinoline?
6,7-dimethoxy-3-(4-methoxyphenyl)-1-methylisoquinoline has a molecular weight of 309.37 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-(4-methoxyphenyl)-1-methylisoquinoline is sourced from PubChem (CID 3717793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).