2-(3-methyl-4-oxophthalazin-1-yl)-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide

C23H21N3O3 — CID 71552341

IUPAC2-(3-methyl-4-oxophthalazin-1-yl)-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide
SMILESCn1nc(CC(=O)Nc2ccc3oc4c(c3c2)CCCC4)c2ccccc2c1=O
InChIInChI=1S/C23H21N3O3/c1-26-23(28)17-8-3-2-6-15(17)19(25-26)13-22(27)24-14-10-11-21-18(12-14)16-7-4-5-9-20(16)29-21/h2-3,6,8,10-12H,4-5,7,9,13H2,1H3,(H,24,27)
InChIKeyGMQDVIPGHXODOQ-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.74
Rot. Bonds3

About 2-(3-methyl-4-oxophthalazin-1-yl)-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide

2-(3-methyl-4-oxophthalazin-1-yl)-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide (PubChem CID 71552341) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-(3-methyl-4-oxophthalazin-1-yl)-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-4-oxophthalazin-1-yl)-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide
PubChem CID71552341
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name2-(3-methyl-4-oxophthalazin-1-yl)-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide
SMILESCn1nc(CC(=O)Nc2ccc3oc4c(c3c2)CCCC4)c2ccccc2c1=O
InChIInChI=1S/C23H21N3O3/c1-26-23(28)17-8-3-2-6-15(17)19(25-26)13-22(27)24-14-10-11-21-18(12-14)16-7-4-5-9-20(16)29-21/h2-3,6,8,10-12H,4-5,7,9,13H2,1H3,(H,24,27)
InChIKeyGMQDVIPGHXODOQ-UHFFFAOYSA-N
XLogP3.74
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-methyl-4-oxophthalazin-1-yl)-N-(6,7,8,9-tetrahydrodibenzofuran-2-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 2-(3-methyl-4-oxophthalazin-1-yl)-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide?
The IUPAC name of 2-(3-methyl-4-oxophthalazin-1-yl)-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide (CID 71552341) is 2-(3-methyl-4-oxophthalazin-1-yl)-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide.
What is the SMILES notation for 2-(3-methyl-4-oxophthalazin-1-yl)-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide?
The canonical SMILES for 2-(3-methyl-4-oxophthalazin-1-yl)-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide is Cn1nc(CC(=O)Nc2ccc3oc4c(c3c2)CCCC4)c2ccccc2c1=O.
What is the InChIKey of 2-(3-methyl-4-oxophthalazin-1-yl)-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide?
The InChIKey is GMQDVIPGHXODOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-26-23(28)17-8-3-2-6-15(17)19(25-26)13-22(27)24-14-10-11-21-18(12-14)16-7-4-5-9-20(16)29-21/h2-3,6,8,10-12H,4-5,7,9,13H2,1H3,(H,24,27).
What are the key properties of 2-(3-methyl-4-oxophthalazin-1-yl)-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide?
2-(3-methyl-4-oxophthalazin-1-yl)-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide has a molecular weight of 387.44 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-oxophthalazin-1-yl)-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)acetamide is sourced from PubChem (CID 71552341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).