N-(2,6-dimethylphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide

C22H24N4O3 — CID 53137060

IUPACN-(2,6-dimethylphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
SMILESCc1cccc(C)c1NC(=O)Cn1nc(N2CCOCC2)c2ccccc2c1=O
InChIInChI=1S/C22H24N4O3/c1-15-6-5-7-16(2)20(15)23-19(27)14-26-22(28)18-9-4-3-8-17(18)21(24-26)25-10-12-29-13-11-25/h3-9H,10-14H2,1-2H3,(H,23,27)
InChIKeyGEOGFPFJTTXXBC-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.49
Rot. Bonds4

About N-(2,6-dimethylphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide

N-(2,6-dimethylphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide (PubChem CID 53137060) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
PubChem CID53137060
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-(2,6-dimethylphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
SMILESCc1cccc(C)c1NC(=O)Cn1nc(N2CCOCC2)c2ccccc2c1=O
InChIInChI=1S/C22H24N4O3/c1-15-6-5-7-16(2)20(15)23-19(27)14-26-22(28)18-9-4-3-8-17(18)21(24-26)25-10-12-29-13-11-25/h3-9H,10-14H2,1-2H3,(H,23,27)
InChIKeyGEOGFPFJTTXXBC-UHFFFAOYSA-N
XLogP2.49
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
CID 53137072
N-(4-bromophenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
CID 53137056
N-(3,5-dimethylphenyl)-2-(1-oxo-4-pyrrolidin-1-ylphthalazin-2-yl)acetamide
CID 46396846
N-(4-chlorophenyl)-2-(1-oxo-4-piperidin-1-ylphthalazin-2-yl)acetamide
CID 22425705
2-(4-methyl-1-oxophthalazin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 51208445
N-(3,5-dimethoxyphenyl)-2-(1-oxo-4-pyrrolidin-1-ylphthalazin-2-yl)acetamide
CID 53137015
2-(3-methylphenyl)-N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
CID 70976210
N-(3-methoxyphenyl)-2-(1-oxo-4-thiomorpholin-4-ylphthalazin-2-yl)acetamide
CID 53137095
N-(4-morpholin-4-yl-1-oxophthalazin-2-yl)-2-phenylacetamide
CID 70976253
N-[4-(diethylamino)-2-methylphenyl]-2-[4-(4-methylpiperidin-1-yl)-1-oxophthalazin-2-yl]acetamide
CID 46396902
2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-methylphenyl)acetamide
CID 745849
N-(2-methylphenyl)-2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 53196384

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide (CID 53137060) is N-(2,6-dimethylphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide is Cc1cccc(C)c1NC(=O)Cn1nc(N2CCOCC2)c2ccccc2c1=O.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide?
The InChIKey is GEOGFPFJTTXXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15-6-5-7-16(2)20(15)23-19(27)14-26-22(28)18-9-4-3-8-17(18)21(24-26)25-10-12-29-13-11-25/h3-9H,10-14H2,1-2H3,(H,23,27).
What are the key properties of N-(2,6-dimethylphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide?
N-(2,6-dimethylphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide has a molecular weight of 392.46 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 53137060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).