[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate

C19H16N4O5 — CID 7251297

IUPAC[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
SMILESO=C(COC(=O)Cc1n[nH]c(=O)c2ccccc12)NNC(=O)c1ccccc1
InChIInChI=1S/C19H16N4O5/c24-16(21-22-18(26)12-6-2-1-3-7-12)11-28-17(25)10-15-13-8-4-5-9-14(13)19(27)23-20-15/h1-9H,10-11H2,(H,21,24)(H,22,26)(H,23,27)
InChIKeyBKAHJJAGYKWZLR-UHFFFAOYSA-N
MW380.36 g/mol
LogP0.47
Rot. Bonds5

About [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate

[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate (PubChem CID 7251297) has the molecular formula C19H16N4O5 and a molecular weight of 380.36 g/mol. Its IUPAC name is [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate.

Molecular Properties

Compound Name[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
PubChem CID7251297
Molecular FormulaC19H16N4O5
Molecular Weight380.36 g/mol
Exact Mass380.11
IUPAC Name[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
SMILESO=C(COC(=O)Cc1n[nH]c(=O)c2ccccc12)NNC(=O)c1ccccc1
InChIInChI=1S/C19H16N4O5/c24-16(21-22-18(26)12-6-2-1-3-7-12)11-28-17(25)10-15-13-8-4-5-9-14(13)19(27)23-20-15/h1-9H,10-11H2,(H,21,24)(H,22,26)(H,23,27)
InChIKeyBKAHJJAGYKWZLR-UHFFFAOYSA-N
XLogP0.47
TPSA130.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate
CID 348622
phenacyl 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7251556
ethyl 2-(4-oxo-3H-phthalazin-1-yl)propanoate
CID 2836660
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 7251360
[1-(4-methylphenyl)-1-oxopropan-2-yl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 16519927
[1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 24687501
[2-(2-Benzoylhydrazinyl)-2-oxoethyl] 3-phenylpropanoate
CID 2416248
[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 16298318
[1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-(4-oxo-3H-phthalazin-1-yl)acetate
CID 24685987
1-(3,4-Dimethylphenyl)-1-oxopropan-2-yl (4-oxo-3,4-dihydrophthalazin-1-yl)acetate
CID 24685988
Methyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate
CID 778234
methyl 4-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]oxymethyl]benzoate
CID 2417383

Frequently Asked Questions

What is the IUPAC name of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate?
The IUPAC name of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate (CID 7251297) is [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate.
What is the SMILES notation for [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate?
The canonical SMILES for [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate is O=C(COC(=O)Cc1n[nH]c(=O)c2ccccc12)NNC(=O)c1ccccc1.
What is the InChIKey of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate?
The InChIKey is BKAHJJAGYKWZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O5/c24-16(21-22-18(26)12-6-2-1-3-7-12)11-28-17(25)10-15-13-8-4-5-9-14(13)19(27)23-20-15/h1-9H,10-11H2,(H,21,24)(H,22,26)(H,23,27).
What are the key properties of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate?
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate has a molecular weight of 380.36 g/mol, XLogP of 0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate is sourced from PubChem (CID 7251297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).