N-(3,5-dimethylphenyl)-2-(1-oxo-4-pyrrolidin-1-ylphthalazin-2-yl)acetamide

C22H24N4O2 — CID 46396846

IUPACN-(3,5-dimethylphenyl)-2-(1-oxo-4-pyrrolidin-1-ylphthalazin-2-yl)acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2nc(N3CCCC3)c3ccccc3c2=O)c1
InChIInChI=1S/C22H24N4O2/c1-15-11-16(2)13-17(12-15)23-20(27)14-26-22(28)19-8-4-3-7-18(19)21(24-26)25-9-5-6-10-25/h3-4,7-8,11-13H,5-6,9-10,14H2,1-2H3,(H,23,27)
InChIKeyIJMSJRIWJKQNNZ-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.25
Rot. Bonds4

About N-(3,5-dimethylphenyl)-2-(1-oxo-4-pyrrolidin-1-ylphthalazin-2-yl)acetamide

N-(3,5-dimethylphenyl)-2-(1-oxo-4-pyrrolidin-1-ylphthalazin-2-yl)acetamide (PubChem CID 46396846) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(1-oxo-4-pyrrolidin-1-ylphthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(1-oxo-4-pyrrolidin-1-ylphthalazin-2-yl)acetamide
PubChem CID46396846
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-(3,5-dimethylphenyl)-2-(1-oxo-4-pyrrolidin-1-ylphthalazin-2-yl)acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2nc(N3CCCC3)c3ccccc3c2=O)c1
InChIInChI=1S/C22H24N4O2/c1-15-11-16(2)13-17(12-15)23-20(27)14-26-22(28)19-8-4-3-7-18(19)21(24-26)25-9-5-6-10-25/h3-4,7-8,11-13H,5-6,9-10,14H2,1-2H3,(H,23,27)
InChIKeyIJMSJRIWJKQNNZ-UHFFFAOYSA-N
XLogP3.25
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethoxyphenyl)-2-(1-oxo-4-pyrrolidin-1-ylphthalazin-2-yl)acetamide
CID 53137015
N-(4-chlorophenyl)-2-(1-oxo-4-piperidin-1-ylphthalazin-2-yl)acetamide
CID 22425705
N-(4-bromophenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
CID 53137056
N-(2,6-dimethylphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
CID 53137060
N-(3-methoxyphenyl)-2-(1-oxo-4-thiomorpholin-4-ylphthalazin-2-yl)acetamide
CID 53137095
2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-methylphenyl)acetamide
CID 17129197
2-[4-[(3R)-3-methylpiperidin-1-yl]-1-oxophthalazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 51661363
N-(3-methoxyphenyl)-2-[4-(3-methylpiperidin-1-yl)-1-oxophthalazin-2-yl]acetamide
CID 46396947
N-(2-fluoro-4-methylphenyl)-2-[4-(3-methylpiperidin-1-yl)-1-oxophthalazin-2-yl]acetamide
CID 46396969
N-[2-(azepan-1-yl)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 38283424
N-(2-ethyl-6-methylphenyl)-2-(4-morpholin-4-yl-1-oxophthalazin-2-yl)acetamide
CID 53137072
2-(4-methyl-1-oxophthalazin-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 51208445

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(1-oxo-4-pyrrolidin-1-ylphthalazin-2-yl)acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(1-oxo-4-pyrrolidin-1-ylphthalazin-2-yl)acetamide (CID 46396846) is N-(3,5-dimethylphenyl)-2-(1-oxo-4-pyrrolidin-1-ylphthalazin-2-yl)acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(1-oxo-4-pyrrolidin-1-ylphthalazin-2-yl)acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(1-oxo-4-pyrrolidin-1-ylphthalazin-2-yl)acetamide is Cc1cc(C)cc(NC(=O)Cn2nc(N3CCCC3)c3ccccc3c2=O)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(1-oxo-4-pyrrolidin-1-ylphthalazin-2-yl)acetamide?
The InChIKey is IJMSJRIWJKQNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-11-16(2)13-17(12-15)23-20(27)14-26-22(28)19-8-4-3-7-18(19)21(24-26)25-9-5-6-10-25/h3-4,7-8,11-13H,5-6,9-10,14H2,1-2H3,(H,23,27).
What are the key properties of N-(3,5-dimethylphenyl)-2-(1-oxo-4-pyrrolidin-1-ylphthalazin-2-yl)acetamide?
N-(3,5-dimethylphenyl)-2-(1-oxo-4-pyrrolidin-1-ylphthalazin-2-yl)acetamide has a molecular weight of 376.46 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(1-oxo-4-pyrrolidin-1-ylphthalazin-2-yl)acetamide is sourced from PubChem (CID 46396846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).