[2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate

C20H14N2O6 — CID 7165108

IUPAC[2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
SMILESO=C(Cn1[nH]c(=O)c2ccccc2c1=O)OCC(=O)c1cc2ccccc2o1
InChIInChI=1S/C20H14N2O6/c23-15(17-9-12-5-1-4-8-16(12)28-17)11-27-18(24)10-22-20(26)14-7-3-2-6-13(14)19(25)21-22/h1-9H,10-11H2,(H,21,25)
InChIKeyYWONHDPWRBOUPB-UHFFFAOYSA-N
MW378.34 g/mol
LogP1.86
Rot. Bonds5

About [2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate

[2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate (PubChem CID 7165108) has the molecular formula C20H14N2O6 and a molecular weight of 378.34 g/mol. Its IUPAC name is [2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate.

Molecular Properties

Compound Name[2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
PubChem CID7165108
Molecular FormulaC20H14N2O6
Molecular Weight378.34 g/mol
Exact Mass378.09
IUPAC Name[2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
SMILESO=C(Cn1[nH]c(=O)c2ccccc2c1=O)OCC(=O)c1cc2ccccc2o1
InChIInChI=1S/C20H14N2O6/c23-15(17-9-12-5-1-4-8-16(12)28-17)11-27-18(24)10-22-20(26)14-7-3-2-6-13(14)19(25)21-22/h1-9H,10-11H2,(H,21,25)
InChIKeyYWONHDPWRBOUPB-UHFFFAOYSA-N
XLogP1.86
TPSA111.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate with MolForge

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Related Compounds

[2-(4-bromophenyl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
CID 18280384
[2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 8891276
(4-bromophenyl)methyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
CID 2619253
[2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 4239088
[2-(1-benzofuran-2-yl)-2-oxoethyl] 3-(2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 8726558
(4-aminoquinazolin-2-yl)methyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
CID 27908304
1-(1-benzofuran-2-yl)-2-ethoxyethanone
CID 43799572
1-[2-(1-benzofuran-2-yl)-2-oxoethyl]pyridin-2-one
CID 60774223
[2-(1-benzofuran-2-yl)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 2346729
[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
CID 2416177
[(Z)-3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
CID 135466206
1-(1-benzofuran-2-yl)-2-(4-fluorophenoxy)ethanone
CID 43413232

Frequently Asked Questions

What is the IUPAC name of [2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate?
The IUPAC name of [2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate (CID 7165108) is [2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate.
What is the SMILES notation for [2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate?
The canonical SMILES for [2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate is O=C(Cn1[nH]c(=O)c2ccccc2c1=O)OCC(=O)c1cc2ccccc2o1.
What is the InChIKey of [2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate?
The InChIKey is YWONHDPWRBOUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O6/c23-15(17-9-12-5-1-4-8-16(12)28-17)11-27-18(24)10-22-20(26)14-7-3-2-6-13(14)19(25)21-22/h1-9H,10-11H2,(H,21,25).
What are the key properties of [2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate?
[2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate has a molecular weight of 378.34 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate is sourced from PubChem (CID 7165108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).