[6-(3,4-dimethoxyphenyl)pyridazin-3-yl] 3,4,5-trimethoxybenzoate

C22H22N2O7 — CID 6418724

IUPAC[6-(3,4-dimethoxyphenyl)pyridazin-3-yl] 3,4,5-trimethoxybenzoate
SMILESCOc1ccc(-c2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)nn2)cc1OC
InChIInChI=1S/C22H22N2O7/c1-26-16-8-6-13(10-17(16)27-2)15-7-9-20(24-23-15)31-22(25)14-11-18(28-3)21(30-5)19(12-14)29-4/h6-12H,1-5H3
InChIKeyDJZBZYBCLIOPQZ-UHFFFAOYSA-N
MW426.43 g/mol
LogP3.41
Rot. Bonds8

About [6-(3,4-dimethoxyphenyl)pyridazin-3-yl] 3,4,5-trimethoxybenzoate

[6-(3,4-dimethoxyphenyl)pyridazin-3-yl] 3,4,5-trimethoxybenzoate (PubChem CID 6418724) has the molecular formula C22H22N2O7 and a molecular weight of 426.43 g/mol. Its IUPAC name is [6-(3,4-dimethoxyphenyl)pyridazin-3-yl] 3,4,5-trimethoxybenzoate.

Molecular Properties

Compound Name[6-(3,4-dimethoxyphenyl)pyridazin-3-yl] 3,4,5-trimethoxybenzoate
PubChem CID6418724
Molecular FormulaC22H22N2O7
Molecular Weight426.43 g/mol
Exact Mass426.14
IUPAC Name[6-(3,4-dimethoxyphenyl)pyridazin-3-yl] 3,4,5-trimethoxybenzoate
SMILESCOc1ccc(-c2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)nn2)cc1OC
InChIInChI=1S/C22H22N2O7/c1-26-16-8-6-13(10-17(16)27-2)15-7-9-20(24-23-15)31-22(25)14-11-18(28-3)21(30-5)19(12-14)29-4/h6-12H,1-5H3
InChIKeyDJZBZYBCLIOPQZ-UHFFFAOYSA-N
XLogP3.41
TPSA98.23 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze [6-(3,4-dimethoxyphenyl)pyridazin-3-yl] 3,4,5-trimethoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-(4-ethoxyphenyl)pyridazin-3-yl] 3-bromo-4-methoxybenzoate
CID 6414011
N-[4-(6-ethoxypyridazin-3-yl)phenyl]-3,4,5-trimethoxybenzamide
CID 7593667
3-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,2,4-triazine
CID 67422117
[3,5-bis[(3,4,5-trimethoxybenzoyl)oxy]phenyl] 3,4,5-trimethoxybenzoate
CID 67989294
5-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)pyridine
CID 90670581
(2-chlorophenyl) 3,4,5-trimethoxybenzoate
CID 795484
(4-ethoxycarbonyl-2-methoxyphenyl) 3,4,5-trimethoxybenzoate
CID 7311951
6-(3,4-dimethoxyphenyl)pyridazine-3-carbaldehyde
CID 82294072
pyridin-2-yl 3,4-dimethoxybenzoate
CID 35206042
4-(3,4,5-trimethoxyphenyl)benzamide
CID 39746262
2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylpropanamide
CID 43817505
[6-[4-(difluoromethoxy)-3-methoxyphenyl]pyridazin-3-yl]oxy-trimethylsilane
CID 91742628

Frequently Asked Questions

What is the IUPAC name of [6-(3,4-dimethoxyphenyl)pyridazin-3-yl] 3,4,5-trimethoxybenzoate?
The IUPAC name of [6-(3,4-dimethoxyphenyl)pyridazin-3-yl] 3,4,5-trimethoxybenzoate (CID 6418724) is [6-(3,4-dimethoxyphenyl)pyridazin-3-yl] 3,4,5-trimethoxybenzoate.
What is the SMILES notation for [6-(3,4-dimethoxyphenyl)pyridazin-3-yl] 3,4,5-trimethoxybenzoate?
The canonical SMILES for [6-(3,4-dimethoxyphenyl)pyridazin-3-yl] 3,4,5-trimethoxybenzoate is COc1ccc(-c2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)nn2)cc1OC.
What is the InChIKey of [6-(3,4-dimethoxyphenyl)pyridazin-3-yl] 3,4,5-trimethoxybenzoate?
The InChIKey is DJZBZYBCLIOPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O7/c1-26-16-8-6-13(10-17(16)27-2)15-7-9-20(24-23-15)31-22(25)14-11-18(28-3)21(30-5)19(12-14)29-4/h6-12H,1-5H3.
What are the key properties of [6-(3,4-dimethoxyphenyl)pyridazin-3-yl] 3,4,5-trimethoxybenzoate?
[6-(3,4-dimethoxyphenyl)pyridazin-3-yl] 3,4,5-trimethoxybenzoate has a molecular weight of 426.43 g/mol, XLogP of 3.41, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,4-dimethoxyphenyl)pyridazin-3-yl] 3,4,5-trimethoxybenzoate is sourced from PubChem (CID 6418724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).