dibenzofuran-2-yl 2-(1-oxophthalazin-2-yl)acetate

C22H14N2O4 — CID 55574924

IUPACdibenzofuran-2-yl 2-(1-oxophthalazin-2-yl)acetate
SMILESO=C(Cn1ncc2ccccc2c1=O)Oc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C22H14N2O4/c25-21(13-24-22(26)16-6-2-1-5-14(16)12-23-24)27-15-9-10-20-18(11-15)17-7-3-4-8-19(17)28-20/h1-12H,13H2
InChIKeyDUOHVGTXKQWGBN-UHFFFAOYSA-N
MW370.36 g/mol
LogP3.90
Rot. Bonds3

About dibenzofuran-2-yl 2-(1-oxophthalazin-2-yl)acetate

dibenzofuran-2-yl 2-(1-oxophthalazin-2-yl)acetate (PubChem CID 55574924) has the molecular formula C22H14N2O4 and a molecular weight of 370.36 g/mol. Its IUPAC name is dibenzofuran-2-yl 2-(1-oxophthalazin-2-yl)acetate.

Molecular Properties

Compound Namedibenzofuran-2-yl 2-(1-oxophthalazin-2-yl)acetate
PubChem CID55574924
Molecular FormulaC22H14N2O4
Molecular Weight370.36 g/mol
Exact Mass370.10
IUPAC Namedibenzofuran-2-yl 2-(1-oxophthalazin-2-yl)acetate
SMILESO=C(Cn1ncc2ccccc2c1=O)Oc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C22H14N2O4/c25-21(13-24-22(26)16-6-2-1-5-14(16)12-23-24)27-15-9-10-20-18(11-15)17-7-3-4-8-19(17)28-20/h1-12H,13H2
InChIKeyDUOHVGTXKQWGBN-UHFFFAOYSA-N
XLogP3.90
TPSA74.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

dibenzofuran-2-yl 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetate
CID 31819772
dibenzofuran-2-yl 2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetate
CID 31512137
2-phenacylphthalazin-1-one
CID 60774188
dibenzofuran-2-yl 2-phenoxyacetate
CID 2591809
dibenzofuran-2-yl 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 31304362
dibenzofuran-2-yl 4-(1,2,4-triazol-1-yl)butanoate
CID 56805508
dibenzofuran-2-yl 2-(4-chlorophenoxy)acetate
CID 5153228
dibenzofuran-2-yl 4-phenylsulfanylbutanoate
CID 5205509
dibenzofuran-2-yl 2-(8-chloronaphthalen-1-yl)sulfanylacetate
CID 5199831
dibenzofuran-2-yl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 55536611
dibenzofuran-2-yl 4-(4-bromophenoxy)butanoate
CID 3465330
dibenzofuran-2-yl 3-methylbut-2-enoate
CID 30707785

Frequently Asked Questions

What is the IUPAC name of dibenzofuran-2-yl 2-(1-oxophthalazin-2-yl)acetate?
The IUPAC name of dibenzofuran-2-yl 2-(1-oxophthalazin-2-yl)acetate (CID 55574924) is dibenzofuran-2-yl 2-(1-oxophthalazin-2-yl)acetate.
What is the SMILES notation for dibenzofuran-2-yl 2-(1-oxophthalazin-2-yl)acetate?
The canonical SMILES for dibenzofuran-2-yl 2-(1-oxophthalazin-2-yl)acetate is O=C(Cn1ncc2ccccc2c1=O)Oc1ccc2oc3ccccc3c2c1.
What is the InChIKey of dibenzofuran-2-yl 2-(1-oxophthalazin-2-yl)acetate?
The InChIKey is DUOHVGTXKQWGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O4/c25-21(13-24-22(26)16-6-2-1-5-14(16)12-23-24)27-15-9-10-20-18(11-15)17-7-3-4-8-19(17)28-20/h1-12H,13H2.
What are the key properties of dibenzofuran-2-yl 2-(1-oxophthalazin-2-yl)acetate?
dibenzofuran-2-yl 2-(1-oxophthalazin-2-yl)acetate has a molecular weight of 370.36 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran-2-yl 2-(1-oxophthalazin-2-yl)acetate is sourced from PubChem (CID 55574924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).