1-(3,4-dimethoxyphenyl)-N-(6,7-dimethoxyquinolin-4-yl)methanimine

C20H20N2O4 — CID 25195

IUPAC1-(3,4-dimethoxyphenyl)-N-(6,7-dimethoxyquinolin-4-yl)methanimine
SMILESCOc1ccc(/C=N/c2ccnc3cc(OC)c(OC)cc23)cc1OC
InChIInChI=1S/C20H20N2O4/c1-23-17-6-5-13(9-18(17)24-2)12-22-15-7-8-21-16-11-20(26-4)19(25-3)10-14(15)16/h5-12H,1-4H3/b22-12+
InChIKeyJIGAQXOHSFIRIS-WSDLNYQXSA-N
MW352.39 g/mol
LogP4.02
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)-N-(6,7-dimethoxyquinolin-4-yl)methanimine

1-(3,4-dimethoxyphenyl)-N-(6,7-dimethoxyquinolin-4-yl)methanimine (PubChem CID 25195) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-(6,7-dimethoxyquinolin-4-yl)methanimine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-(6,7-dimethoxyquinolin-4-yl)methanimine
PubChem CID25195
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name1-(3,4-dimethoxyphenyl)-N-(6,7-dimethoxyquinolin-4-yl)methanimine
SMILESCOc1ccc(/C=N/c2ccnc3cc(OC)c(OC)cc23)cc1OC
InChIInChI=1S/C20H20N2O4/c1-23-17-6-5-13(9-18(17)24-2)12-22-15-7-8-21-16-11-20(26-4)19(25-3)10-14(15)16/h5-12H,1-4H3/b22-12+
InChIKeyJIGAQXOHSFIRIS-WSDLNYQXSA-N
XLogP4.02
TPSA62.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(6,7-dimethoxyquinolin-4-yl)methanimine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(6,7-dimethoxyquinolin-4-yl)methanimine (CID 25195) is 1-(3,4-dimethoxyphenyl)-N-(6,7-dimethoxyquinolin-4-yl)methanimine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-(6,7-dimethoxyquinolin-4-yl)methanimine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-(6,7-dimethoxyquinolin-4-yl)methanimine is COc1ccc(/C=N/c2ccnc3cc(OC)c(OC)cc23)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-(6,7-dimethoxyquinolin-4-yl)methanimine?
The InChIKey is JIGAQXOHSFIRIS-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-23-17-6-5-13(9-18(17)24-2)12-22-15-7-8-21-16-11-20(26-4)19(25-3)10-14(15)16/h5-12H,1-4H3/b22-12+.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-(6,7-dimethoxyquinolin-4-yl)methanimine?
1-(3,4-dimethoxyphenyl)-N-(6,7-dimethoxyquinolin-4-yl)methanimine has a molecular weight of 352.39 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-(6,7-dimethoxyquinolin-4-yl)methanimine is sourced from PubChem (CID 25195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).