6-methyl-3-(3,4,5-trimethoxyphenyl)isoquinolin-1-amine

C19H20N2O3 — CID 24951689

IUPAC6-methyl-3-(3,4,5-trimethoxyphenyl)isoquinolin-1-amine
SMILESCOc1cc(-c2cc3cc(C)ccc3c(N)n2)cc(OC)c1OC
InChIInChI=1S/C19H20N2O3/c1-11-5-6-14-12(7-11)8-15(21-19(14)20)13-9-16(22-2)18(24-4)17(10-13)23-3/h5-10H,1-4H3,(H2,20,21)
InChIKeyARXCOPYKKLOMOT-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.82
Rot. Bonds4

About 6-methyl-3-(3,4,5-trimethoxyphenyl)isoquinolin-1-amine

6-methyl-3-(3,4,5-trimethoxyphenyl)isoquinolin-1-amine (PubChem CID 24951689) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 6-methyl-3-(3,4,5-trimethoxyphenyl)isoquinolin-1-amine.

Molecular Properties

Compound Name6-methyl-3-(3,4,5-trimethoxyphenyl)isoquinolin-1-amine
PubChem CID24951689
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name6-methyl-3-(3,4,5-trimethoxyphenyl)isoquinolin-1-amine
SMILESCOc1cc(-c2cc3cc(C)ccc3c(N)n2)cc(OC)c1OC
InChIInChI=1S/C19H20N2O3/c1-11-5-6-14-12(7-11)8-15(21-19(14)20)13-9-16(22-2)18(24-4)17(10-13)23-3/h5-10H,1-4H3,(H2,20,21)
InChIKeyARXCOPYKKLOMOT-UHFFFAOYSA-N
XLogP3.82
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(3,4,5-trimethoxyphenyl)isoquinolin-1-amine?
The IUPAC name of 6-methyl-3-(3,4,5-trimethoxyphenyl)isoquinolin-1-amine (CID 24951689) is 6-methyl-3-(3,4,5-trimethoxyphenyl)isoquinolin-1-amine.
What is the SMILES notation for 6-methyl-3-(3,4,5-trimethoxyphenyl)isoquinolin-1-amine?
The canonical SMILES for 6-methyl-3-(3,4,5-trimethoxyphenyl)isoquinolin-1-amine is COc1cc(-c2cc3cc(C)ccc3c(N)n2)cc(OC)c1OC.
What is the InChIKey of 6-methyl-3-(3,4,5-trimethoxyphenyl)isoquinolin-1-amine?
The InChIKey is ARXCOPYKKLOMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-11-5-6-14-12(7-11)8-15(21-19(14)20)13-9-16(22-2)18(24-4)17(10-13)23-3/h5-10H,1-4H3,(H2,20,21).
What are the key properties of 6-methyl-3-(3,4,5-trimethoxyphenyl)isoquinolin-1-amine?
6-methyl-3-(3,4,5-trimethoxyphenyl)isoquinolin-1-amine has a molecular weight of 324.38 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(3,4,5-trimethoxyphenyl)isoquinolin-1-amine is sourced from PubChem (CID 24951689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).