2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-morpholin-4-ylethyl)acetamide

C17H22N4O3 — CID 661948

IUPAC2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1nn(CC(=O)NCCN2CCOCC2)c(=O)c2ccccc12
InChIInChI=1S/C17H22N4O3/c1-13-14-4-2-3-5-15(14)17(23)21(19-13)12-16(22)18-6-7-20-8-10-24-11-9-20/h2-5H,6-12H2,1H3,(H,18,22)
InChIKeyQAJDZYOJTOABQE-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.15
Rot. Bonds5

About 2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-morpholin-4-ylethyl)acetamide

2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 661948) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID661948
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1nn(CC(=O)NCCN2CCOCC2)c(=O)c2ccccc12
InChIInChI=1S/C17H22N4O3/c1-13-14-4-2-3-5-15(14)17(23)21(19-13)12-16(22)18-6-7-20-8-10-24-11-9-20/h2-5H,6-12H2,1H3,(H,18,22)
InChIKeyQAJDZYOJTOABQE-UHFFFAOYSA-N
XLogP0.15
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-morpholin-4-ylethyl)acetamide 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 2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-morpholin-4-ylethyl)acetamide (CID 661948) is 2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-morpholin-4-ylethyl)acetamide is Cc1nn(CC(=O)NCCN2CCOCC2)c(=O)c2ccccc12.
What is the InChIKey of 2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is QAJDZYOJTOABQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-13-14-4-2-3-5-15(14)17(23)21(19-13)12-16(22)18-6-7-20-8-10-24-11-9-20/h2-5H,6-12H2,1H3,(H,18,22).
What are the key properties of 2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-morpholin-4-ylethyl)acetamide?
2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 330.39 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 661948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).