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

C19H16N2O6 — CID 24685954

IUPAC[2-(2-methoxyphenyl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
SMILESCOc1ccccc1C(=O)COC(=O)Cn1[nH]c(=O)c2ccccc2c1=O
InChIInChI=1S/C19H16N2O6/c1-26-16-9-5-4-8-14(16)15(22)11-27-17(23)10-21-19(25)13-7-3-2-6-12(13)18(24)20-21/h2-9H,10-11H2,1H3,(H,20,24)
InChIKeySQVWZYNMPWAEJX-UHFFFAOYSA-N
MW368.35 g/mol
LogP1.12
Rot. Bonds6

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

[2-(2-methoxyphenyl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate (PubChem CID 24685954) has the molecular formula C19H16N2O6 and a molecular weight of 368.35 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
PubChem CID24685954
Molecular FormulaC19H16N2O6
Molecular Weight368.35 g/mol
Exact Mass368.10
IUPAC Name[2-(2-methoxyphenyl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
SMILESCOc1ccccc1C(=O)COC(=O)Cn1[nH]c(=O)c2ccccc2c1=O
InChIInChI=1S/C19H16N2O6/c1-26-16-9-5-4-8-14(16)15(22)11-27-17(23)10-21-19(25)13-7-3-2-6-12(13)18(24)20-21/h2-9H,10-11H2,1H3,(H,20,24)
InChIKeySQVWZYNMPWAEJX-UHFFFAOYSA-N
XLogP1.12
TPSA107.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-Oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethoxy]benzamide
CID 2474690
(2-Naphthalen-1-yl-2-oxoethyl) 2-[(2-methoxybenzoyl)amino]acetate
CID 8902712
[1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
CID 24819829
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
CID 40482040
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 3-methoxybenzoate
CID 4132410
2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-[2-(2-methylphenoxy)acetyl]acetohydrazide
CID 4851120
2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 2090310
N-[(2-methoxyphenyl)methyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 2985275
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
CID 24685959
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
CID 24686817
(1-Morpholin-4-yl-1-oxopropan-2-yl) 2-[(2-methoxybenzoyl)amino]acetate
CID 24979959
2-(2-Methoxyphenyl)-2-oxoethyl 2-(1,3-dioxoisoindolin-2-yl)acetate
CID 7951224

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate?
The IUPAC name of [2-(2-methoxyphenyl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate (CID 24685954) is [2-(2-methoxyphenyl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate.
What is the SMILES notation for [2-(2-methoxyphenyl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate?
The canonical SMILES for [2-(2-methoxyphenyl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate is COc1ccccc1C(=O)COC(=O)Cn1[nH]c(=O)c2ccccc2c1=O.
What is the InChIKey of [2-(2-methoxyphenyl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate?
The InChIKey is SQVWZYNMPWAEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O6/c1-26-16-9-5-4-8-14(16)15(22)11-27-17(23)10-21-19(25)13-7-3-2-6-12(13)18(24)20-21/h2-9H,10-11H2,1H3,(H,20,24).
What are the key properties of [2-(2-methoxyphenyl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate?
[2-(2-methoxyphenyl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate has a molecular weight of 368.35 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)-2-oxoethyl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate is sourced from PubChem (CID 24685954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).