N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

C20H16N4O4 — CID 17321943

IUPACN-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCN1C(=O)c2ccc(NC(=O)Cc3nn(C)c(=O)c4ccccc34)cc2C1=O
InChIInChI=1S/C20H16N4O4/c1-23-18(26)14-8-7-11(9-15(14)19(23)27)21-17(25)10-16-12-5-3-4-6-13(12)20(28)24(2)22-16/h3-9H,10H2,1-2H3,(H,21,25)
InChIKeyMRHGFADHNJMSSX-UHFFFAOYSA-N
MW376.37 g/mol
LogP1.34
Rot. Bonds3

About N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (PubChem CID 17321943) has the molecular formula C20H16N4O4 and a molecular weight of 376.37 g/mol. Its IUPAC name is N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
PubChem CID17321943
Molecular FormulaC20H16N4O4
Molecular Weight376.37 g/mol
Exact Mass376.12
IUPAC NameN-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCN1C(=O)c2ccc(NC(=O)Cc3nn(C)c(=O)c4ccccc34)cc2C1=O
InChIInChI=1S/C20H16N4O4/c1-23-18(26)14-8-7-11(9-15(14)19(23)27)21-17(25)10-16-12-5-3-4-6-13(12)20(28)24(2)22-16/h3-9H,10H2,1-2H3,(H,21,25)
InChIKeyMRHGFADHNJMSSX-UHFFFAOYSA-N
XLogP1.34
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The IUPAC name of N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (CID 17321943) is N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.
What is the SMILES notation for N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The canonical SMILES for N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is CN1C(=O)c2ccc(NC(=O)Cc3nn(C)c(=O)c4ccccc34)cc2C1=O.
What is the InChIKey of N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The InChIKey is MRHGFADHNJMSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4/c1-23-18(26)14-8-7-11(9-15(14)19(23)27)21-17(25)10-16-12-5-3-4-6-13(12)20(28)24(2)22-16/h3-9H,10H2,1-2H3,(H,21,25).
What are the key properties of N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide has a molecular weight of 376.37 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is sourced from PubChem (CID 17321943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).