N-dibenzofuran-3-yl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

C23H17N3O3 — CID 2944065

IUPACN-dibenzofuran-3-yl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCn1nc(CC(=O)Nc2ccc3c(c2)oc2ccccc23)c2ccccc2c1=O
InChIInChI=1S/C23H17N3O3/c1-26-23(28)18-8-3-2-6-15(18)19(25-26)13-22(27)24-14-10-11-17-16-7-4-5-9-20(16)29-21(17)12-14/h2-12H,13H2,1H3,(H,24,27)
InChIKeyLMLPQQLHKGGSAW-UHFFFAOYSA-N
MW383.41 g/mol
LogP4.01
Rot. Bonds3

About N-dibenzofuran-3-yl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

N-dibenzofuran-3-yl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (PubChem CID 2944065) has the molecular formula C23H17N3O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
PubChem CID2944065
Molecular FormulaC23H17N3O3
Molecular Weight383.41 g/mol
Exact Mass383.13
IUPAC NameN-dibenzofuran-3-yl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCn1nc(CC(=O)Nc2ccc3c(c2)oc2ccccc23)c2ccccc2c1=O
InChIInChI=1S/C23H17N3O3/c1-26-23(28)18-8-3-2-6-15(18)19(25-26)13-22(27)24-14-10-11-17-16-7-4-5-9-20(16)29-21(17)12-14/h2-12H,13H2,1H3,(H,24,27)
InChIKeyLMLPQQLHKGGSAW-UHFFFAOYSA-N
XLogP4.01
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-dibenzofuran-3-yl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The IUPAC name of N-dibenzofuran-3-yl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (CID 2944065) is N-dibenzofuran-3-yl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.
What is the SMILES notation for N-dibenzofuran-3-yl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The canonical SMILES for N-dibenzofuran-3-yl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is Cn1nc(CC(=O)Nc2ccc3c(c2)oc2ccccc23)c2ccccc2c1=O.
What is the InChIKey of N-dibenzofuran-3-yl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The InChIKey is LMLPQQLHKGGSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3/c1-26-23(28)18-8-3-2-6-15(18)19(25-26)13-22(27)24-14-10-11-17-16-7-4-5-9-20(16)29-21(17)12-14/h2-12H,13H2,1H3,(H,24,27).
What are the key properties of N-dibenzofuran-3-yl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
N-dibenzofuran-3-yl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide has a molecular weight of 383.41 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is sourced from PubChem (CID 2944065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).