3-(3,4-dimethoxy-2-methylphenyl)-6,7-dimethoxyisoquinolin-1-amine

C20H22N2O4 — CID 1006316

IUPAC3-(3,4-dimethoxy-2-methylphenyl)-6,7-dimethoxyisoquinolin-1-amine
SMILESCOc1cc2cc(-c3ccc(OC)c(OC)c3C)nc(N)c2cc1OC
InChIInChI=1S/C20H22N2O4/c1-11-13(6-7-16(23-2)19(11)26-5)15-8-12-9-17(24-3)18(25-4)10-14(12)20(21)22-15/h6-10H,1-5H3,(H2,21,22)
InChIKeyJMWYTDCFGMVVRI-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.83
Rot. Bonds5

About 3-(3,4-dimethoxy-2-methylphenyl)-6,7-dimethoxyisoquinolin-1-amine

3-(3,4-dimethoxy-2-methylphenyl)-6,7-dimethoxyisoquinolin-1-amine (PubChem CID 1006316) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-(3,4-dimethoxy-2-methylphenyl)-6,7-dimethoxyisoquinolin-1-amine.

Molecular Properties

Compound Name3-(3,4-dimethoxy-2-methylphenyl)-6,7-dimethoxyisoquinolin-1-amine
PubChem CID1006316
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name3-(3,4-dimethoxy-2-methylphenyl)-6,7-dimethoxyisoquinolin-1-amine
SMILESCOc1cc2cc(-c3ccc(OC)c(OC)c3C)nc(N)c2cc1OC
InChIInChI=1S/C20H22N2O4/c1-11-13(6-7-16(23-2)19(11)26-5)15-8-12-9-17(24-3)18(25-4)10-14(12)20(21)22-15/h6-10H,1-5H3,(H2,21,22)
InChIKeyJMWYTDCFGMVVRI-UHFFFAOYSA-N
XLogP3.83
TPSA75.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxy-2-methylphenyl)-6,7-dimethoxyisoquinolin-1-amine?
The IUPAC name of 3-(3,4-dimethoxy-2-methylphenyl)-6,7-dimethoxyisoquinolin-1-amine (CID 1006316) is 3-(3,4-dimethoxy-2-methylphenyl)-6,7-dimethoxyisoquinolin-1-amine.
What is the SMILES notation for 3-(3,4-dimethoxy-2-methylphenyl)-6,7-dimethoxyisoquinolin-1-amine?
The canonical SMILES for 3-(3,4-dimethoxy-2-methylphenyl)-6,7-dimethoxyisoquinolin-1-amine is COc1cc2cc(-c3ccc(OC)c(OC)c3C)nc(N)c2cc1OC.
What is the InChIKey of 3-(3,4-dimethoxy-2-methylphenyl)-6,7-dimethoxyisoquinolin-1-amine?
The InChIKey is JMWYTDCFGMVVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-11-13(6-7-16(23-2)19(11)26-5)15-8-12-9-17(24-3)18(25-4)10-14(12)20(21)22-15/h6-10H,1-5H3,(H2,21,22).
What are the key properties of 3-(3,4-dimethoxy-2-methylphenyl)-6,7-dimethoxyisoquinolin-1-amine?
3-(3,4-dimethoxy-2-methylphenyl)-6,7-dimethoxyisoquinolin-1-amine has a molecular weight of 354.41 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxy-2-methylphenyl)-6,7-dimethoxyisoquinolin-1-amine is sourced from PubChem (CID 1006316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).