2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-(2-morpholin-4-ylethyl)acetamide

C23H26N4O3 — CID 1267789

IUPAC2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1ccc(-c2nn(CC(=O)NCCN3CCOCC3)c(=O)c3ccccc23)cc1
InChIInChI=1S/C23H26N4O3/c1-17-6-8-18(9-7-17)22-19-4-2-3-5-20(19)23(29)27(25-22)16-21(28)24-10-11-26-12-14-30-15-13-26/h2-9H,10-16H2,1H3,(H,24,28)
InChIKeyKRPXXEXXWOSCKJ-UHFFFAOYSA-N
MW406.49 g/mol
LogP1.82
Rot. Bonds6

About 2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-(2-morpholin-4-ylethyl)acetamide

2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 1267789) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID1267789
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1ccc(-c2nn(CC(=O)NCCN3CCOCC3)c(=O)c3ccccc23)cc1
InChIInChI=1S/C23H26N4O3/c1-17-6-8-18(9-7-17)22-19-4-2-3-5-20(19)23(29)27(25-22)16-21(28)24-10-11-26-12-14-30-15-13-26/h2-9H,10-16H2,1H3,(H,24,28)
InChIKeyKRPXXEXXWOSCKJ-UHFFFAOYSA-N
XLogP1.82
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-(2-morpholin-4-ylethyl)acetamide (CID 1267789) is 2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-(2-morpholin-4-ylethyl)acetamide is Cc1ccc(-c2nn(CC(=O)NCCN3CCOCC3)c(=O)c3ccccc23)cc1.
What is the InChIKey of 2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is KRPXXEXXWOSCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-17-6-8-18(9-7-17)22-19-4-2-3-5-20(19)23(29)27(25-22)16-21(28)24-10-11-26-12-14-30-15-13-26/h2-9H,10-16H2,1H3,(H,24,28).
What are the key properties of 2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-(2-morpholin-4-ylethyl)acetamide?
2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 406.49 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 1267789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).