2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-ethyl-N'-(4-methylphenyl)acetohydrazide

C19H20N4O3 — CID 9182098

IUPAC2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-ethyl-N'-(4-methylphenyl)acetohydrazide
SMILESCCN(NC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)c1ccc(C)cc1
InChIInChI=1S/C19H20N4O3/c1-3-22(14-10-8-13(2)9-11-14)20-17(24)12-23-19(26)16-7-5-4-6-15(16)18(25)21-23/h4-11H,3,12H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyUAARCLXTAHLVHC-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.56
Rot. Bonds5

About 2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-ethyl-N'-(4-methylphenyl)acetohydrazide

2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-ethyl-N'-(4-methylphenyl)acetohydrazide (PubChem CID 9182098) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-ethyl-N'-(4-methylphenyl)acetohydrazide.

Molecular Properties

Compound Name2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-ethyl-N'-(4-methylphenyl)acetohydrazide
PubChem CID9182098
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-ethyl-N'-(4-methylphenyl)acetohydrazide
SMILESCCN(NC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)c1ccc(C)cc1
InChIInChI=1S/C19H20N4O3/c1-3-22(14-10-8-13(2)9-11-14)20-17(24)12-23-19(26)16-7-5-4-6-15(16)18(25)21-23/h4-11H,3,12H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyUAARCLXTAHLVHC-UHFFFAOYSA-N
XLogP1.56
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1,4-dioxo-3H-phthalazin-2-yl)-N-ethyl-N-methylacetamide
CID 134023520
N-(3,5-dimethylphenyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 2083338
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-fluoro-5-methylphenyl)acetamide
CID 40723305
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-ethylphenyl)acetamide
CID 40711272
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[2-(N-methylanilino)ethyl]acetamide
CID 27712493
ethyl 4-(1,4-dioxo-3H-phthalazin-2-yl)-3-oxobutanoate
CID 63898896
N-[3-(diethylaminomethyl)phenyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 38809412
2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-[2-(2-ethoxyphenoxy)acetyl]acetohydrazide
CID 30475095
N-[(2S)-2-(dimethylamino)-3-methylbutyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 30594377
[1-(4-methylphenyl)-1-oxopropan-2-yl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
CID 24685957
N-(3-butoxypropyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
CID 27682645
ethyl 3-[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]benzoate
CID 9228145

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-ethyl-N'-(4-methylphenyl)acetohydrazide?
The IUPAC name of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-ethyl-N'-(4-methylphenyl)acetohydrazide (CID 9182098) is 2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-ethyl-N'-(4-methylphenyl)acetohydrazide.
What is the SMILES notation for 2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-ethyl-N'-(4-methylphenyl)acetohydrazide?
The canonical SMILES for 2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-ethyl-N'-(4-methylphenyl)acetohydrazide is CCN(NC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)c1ccc(C)cc1.
What is the InChIKey of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-ethyl-N'-(4-methylphenyl)acetohydrazide?
The InChIKey is UAARCLXTAHLVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-3-22(14-10-8-13(2)9-11-14)20-17(24)12-23-19(26)16-7-5-4-6-15(16)18(25)21-23/h4-11H,3,12H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of 2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-ethyl-N'-(4-methylphenyl)acetohydrazide?
2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-ethyl-N'-(4-methylphenyl)acetohydrazide has a molecular weight of 352.39 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxo-3H-phthalazin-2-yl)-N'-ethyl-N'-(4-methylphenyl)acetohydrazide is sourced from PubChem (CID 9182098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).