3-(4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazine-1-carboxamide

C22H22N4O5 — CID 5155220

IUPAC3-(4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazine-1-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)NCC(=O)N3CCOCC3)c3ccccc3c2=O)cc1
InChIInChI=1S/C22H22N4O5/c1-30-16-8-6-15(7-9-16)26-22(29)18-5-3-2-4-17(18)20(24-26)21(28)23-14-19(27)25-10-12-31-13-11-25/h2-9H,10-14H2,1H3,(H,23,28)
InChIKeyCMZBRAXPLSLUBK-UHFFFAOYSA-N
MW422.44 g/mol
LogP0.98
Rot. Bonds5

About 3-(4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazine-1-carboxamide

3-(4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazine-1-carboxamide (PubChem CID 5155220) has the molecular formula C22H22N4O5 and a molecular weight of 422.44 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazine-1-carboxamide
PubChem CID5155220
Molecular FormulaC22H22N4O5
Molecular Weight422.44 g/mol
Exact Mass422.16
IUPAC Name3-(4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazine-1-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)NCC(=O)N3CCOCC3)c3ccccc3c2=O)cc1
InChIInChI=1S/C22H22N4O5/c1-30-16-8-6-15(7-9-16)26-22(29)18-5-3-2-4-17(18)20(24-26)21(28)23-14-19(27)25-10-12-31-13-11-25/h2-9H,10-14H2,1H3,(H,23,28)
InChIKeyCMZBRAXPLSLUBK-UHFFFAOYSA-N
XLogP0.98
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazine-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazine-1-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazine-1-carboxamide (CID 5155220) is 3-(4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazine-1-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazine-1-carboxamide is COc1ccc(-n2nc(C(=O)NCC(=O)N3CCOCC3)c3ccccc3c2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazine-1-carboxamide?
The InChIKey is CMZBRAXPLSLUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O5/c1-30-16-8-6-15(7-9-16)26-22(29)18-5-3-2-4-17(18)20(24-26)21(28)23-14-19(27)25-10-12-31-13-11-25/h2-9H,10-14H2,1H3,(H,23,28).
What are the key properties of 3-(4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazine-1-carboxamide?
3-(4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazine-1-carboxamide has a molecular weight of 422.44 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 5155220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).