2-(3-methylphenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide

C21H22N4O3 — CID 70976210

IUPAC2-(3-methylphenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
SMILESCc1cccc(CC(=O)Nn2nc(N3CCOCC3)c3ccccc3c2=O)c1
InChIInChI=1S/C21H22N4O3/c1-15-5-4-6-16(13-15)14-19(26)22-25-21(27)18-8-3-2-7-17(18)20(23-25)24-9-11-28-12-10-24/h2-8,13H,9-12,14H2,1H3,(H,22,26)
InChIKeyDXIWMVOZGDEUDY-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.85
Rot. Bonds4

About 2-(3-methylphenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide

2-(3-methylphenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide (PubChem CID 70976210) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
PubChem CID70976210
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name2-(3-methylphenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
SMILESCc1cccc(CC(=O)Nn2nc(N3CCOCC3)c3ccccc3c2=O)c1
InChIInChI=1S/C21H22N4O3/c1-15-5-4-6-16(13-15)14-19(26)22-25-21(27)18-8-3-2-7-17(18)20(23-25)24-9-11-28-12-10-24/h2-8,13H,9-12,14H2,1H3,(H,22,26)
InChIKeyDXIWMVOZGDEUDY-UHFFFAOYSA-N
XLogP1.85
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)-2-phenylacetamide
CID 70976253
2-(4-fluorophenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
CID 70975795
2-(2,3-dimethoxyphenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
CID 70976193
3,3,3-trifluoro-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)propanamide
CID 70976207
N-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]-2-(3-methylphenyl)acetamide
CID 53238661
N-[4-(4-benzylpiperazin-1-yl)-1-oxophthalazin-2-yl]-2-(4-chlorophenyl)acetamide
CID 70975827
N-(2,6-dimethylphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
CID 53137060
2-(3-methylphenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544157
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-(3-methylphenyl)acetamide
CID 122356836
N-(2-ethyl-6-methylphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
CID 53137072
N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(3-methylphenyl)acetamide
CID 122353695
N-[(3-methylphenyl)methyl]-2-(2-morpholin-4-ylanilino)acetamide
CID 108996983

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide?
The IUPAC name of 2-(3-methylphenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide (CID 70976210) is 2-(3-methylphenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for 2-(3-methylphenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide is Cc1cccc(CC(=O)Nn2nc(N3CCOCC3)c3ccccc3c2=O)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide?
The InChIKey is DXIWMVOZGDEUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-15-5-4-6-16(13-15)14-19(26)22-25-21(27)18-8-3-2-7-17(18)20(23-25)24-9-11-28-12-10-24/h2-8,13H,9-12,14H2,1H3,(H,22,26).
What are the key properties of 2-(3-methylphenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide?
2-(3-methylphenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide has a molecular weight of 378.43 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 70976210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).