3-(2,4-dimethoxyphenyl)-4-oxo-N-(3,4,5-trimethoxyphenyl)phthalazine-1-carboxamide

C26H25N3O7 — CID 3344532

IUPAC3-(2,4-dimethoxyphenyl)-4-oxo-N-(3,4,5-trimethoxyphenyl)phthalazine-1-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)c3ccccc3c2=O)c(OC)c1
InChIInChI=1S/C26H25N3O7/c1-32-16-10-11-19(20(14-16)33-2)29-26(31)18-9-7-6-8-17(18)23(28-29)25(30)27-15-12-21(34-3)24(36-5)22(13-15)35-4/h6-14H,1-5H3,(H,27,30)
InChIKeyDBQULFGXAQCRRB-UHFFFAOYSA-N
MW491.50 g/mol
LogP3.68
Rot. Bonds8

About 3-(2,4-dimethoxyphenyl)-4-oxo-N-(3,4,5-trimethoxyphenyl)phthalazine-1-carboxamide

3-(2,4-dimethoxyphenyl)-4-oxo-N-(3,4,5-trimethoxyphenyl)phthalazine-1-carboxamide (PubChem CID 3344532) has the molecular formula C26H25N3O7 and a molecular weight of 491.50 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-4-oxo-N-(3,4,5-trimethoxyphenyl)phthalazine-1-carboxamide.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-4-oxo-N-(3,4,5-trimethoxyphenyl)phthalazine-1-carboxamide
PubChem CID3344532
Molecular FormulaC26H25N3O7
Molecular Weight491.50 g/mol
Exact Mass491.17
IUPAC Name3-(2,4-dimethoxyphenyl)-4-oxo-N-(3,4,5-trimethoxyphenyl)phthalazine-1-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)c3ccccc3c2=O)c(OC)c1
InChIInChI=1S/C26H25N3O7/c1-32-16-10-11-19(20(14-16)33-2)29-26(31)18-9-7-6-8-17(18)23(28-29)25(30)27-15-12-21(34-3)24(36-5)22(13-15)35-4/h6-14H,1-5H3,(H,27,30)
InChIKeyDBQULFGXAQCRRB-UHFFFAOYSA-N
XLogP3.68
TPSA110.14 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.50
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-4-oxo-N-(3,4,5-trimethoxyphenyl)phthalazine-1-carboxamide?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-4-oxo-N-(3,4,5-trimethoxyphenyl)phthalazine-1-carboxamide (CID 3344532) is 3-(2,4-dimethoxyphenyl)-4-oxo-N-(3,4,5-trimethoxyphenyl)phthalazine-1-carboxamide.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-4-oxo-N-(3,4,5-trimethoxyphenyl)phthalazine-1-carboxamide?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-4-oxo-N-(3,4,5-trimethoxyphenyl)phthalazine-1-carboxamide is COc1ccc(-n2nc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)c3ccccc3c2=O)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-4-oxo-N-(3,4,5-trimethoxyphenyl)phthalazine-1-carboxamide?
The InChIKey is DBQULFGXAQCRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O7/c1-32-16-10-11-19(20(14-16)33-2)29-26(31)18-9-7-6-8-17(18)23(28-29)25(30)27-15-12-21(34-3)24(36-5)22(13-15)35-4/h6-14H,1-5H3,(H,27,30).
What are the key properties of 3-(2,4-dimethoxyphenyl)-4-oxo-N-(3,4,5-trimethoxyphenyl)phthalazine-1-carboxamide?
3-(2,4-dimethoxyphenyl)-4-oxo-N-(3,4,5-trimethoxyphenyl)phthalazine-1-carboxamide has a molecular weight of 491.50 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-4-oxo-N-(3,4,5-trimethoxyphenyl)phthalazine-1-carboxamide is sourced from PubChem (CID 3344532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).