dibenzofuran-2-yl 2-(4-oxo-3H-phthalazin-1-yl)acetate

C22H14N2O4 — CID 31304362

IUPACdibenzofuran-2-yl 2-(4-oxo-3H-phthalazin-1-yl)acetate
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)Oc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C22H14N2O4/c25-21(12-18-14-5-1-2-7-16(14)22(26)24-23-18)27-13-9-10-20-17(11-13)15-6-3-4-8-19(15)28-20/h1-11H,12H2,(H,24,26)
InChIKeyYMAUGSUZNOTOAC-UHFFFAOYSA-N
MW370.36 g/mol
LogP3.97
Rot. Bonds3

About dibenzofuran-2-yl 2-(4-oxo-3H-phthalazin-1-yl)acetate

dibenzofuran-2-yl 2-(4-oxo-3H-phthalazin-1-yl)acetate (PubChem CID 31304362) has the molecular formula C22H14N2O4 and a molecular weight of 370.36 g/mol. Its IUPAC name is dibenzofuran-2-yl 2-(4-oxo-3H-phthalazin-1-yl)acetate.

Molecular Properties

Compound Namedibenzofuran-2-yl 2-(4-oxo-3H-phthalazin-1-yl)acetate
PubChem CID31304362
Molecular FormulaC22H14N2O4
Molecular Weight370.36 g/mol
Exact Mass370.10
IUPAC Namedibenzofuran-2-yl 2-(4-oxo-3H-phthalazin-1-yl)acetate
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)Oc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C22H14N2O4/c25-21(12-18-14-5-1-2-7-16(14)22(26)24-23-18)27-13-9-10-20-17(11-13)15-6-3-4-8-19(15)28-20/h1-11H,12H2,(H,24,26)
InChIKeyYMAUGSUZNOTOAC-UHFFFAOYSA-N
XLogP3.97
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze dibenzofuran-2-yl 2-(4-oxo-3H-phthalazin-1-yl)acetate 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 dibenzofuran-2-yl 2-(4-oxo-3H-phthalazin-1-yl)acetate?
The IUPAC name of dibenzofuran-2-yl 2-(4-oxo-3H-phthalazin-1-yl)acetate (CID 31304362) is dibenzofuran-2-yl 2-(4-oxo-3H-phthalazin-1-yl)acetate.
What is the SMILES notation for dibenzofuran-2-yl 2-(4-oxo-3H-phthalazin-1-yl)acetate?
The canonical SMILES for dibenzofuran-2-yl 2-(4-oxo-3H-phthalazin-1-yl)acetate is O=C(Cc1n[nH]c(=O)c2ccccc12)Oc1ccc2oc3ccccc3c2c1.
What is the InChIKey of dibenzofuran-2-yl 2-(4-oxo-3H-phthalazin-1-yl)acetate?
The InChIKey is YMAUGSUZNOTOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O4/c25-21(12-18-14-5-1-2-7-16(14)22(26)24-23-18)27-13-9-10-20-17(11-13)15-6-3-4-8-19(15)28-20/h1-11H,12H2,(H,24,26).
What are the key properties of dibenzofuran-2-yl 2-(4-oxo-3H-phthalazin-1-yl)acetate?
dibenzofuran-2-yl 2-(4-oxo-3H-phthalazin-1-yl)acetate has a molecular weight of 370.36 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran-2-yl 2-(4-oxo-3H-phthalazin-1-yl)acetate is sourced from PubChem (CID 31304362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).