3-ethyl-N'-[3-(methoxymethyl)benzoyl]-4-oxophthalazine-1-carbohydrazide

C20H20N4O4 — CID 9369810

IUPAC3-ethyl-N'-[3-(methoxymethyl)benzoyl]-4-oxophthalazine-1-carbohydrazide
SMILESCCn1nc(C(=O)NNC(=O)c2cccc(COC)c2)c2ccccc2c1=O
InChIInChI=1S/C20H20N4O4/c1-3-24-20(27)16-10-5-4-9-15(16)17(23-24)19(26)22-21-18(25)14-8-6-7-13(11-14)12-28-2/h4-11H,3,12H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyXJLLKYRHQBWKLE-UHFFFAOYSA-N
MW380.40 g/mol
LogP1.64
Rot. Bonds5

About 3-ethyl-N'-[3-(methoxymethyl)benzoyl]-4-oxophthalazine-1-carbohydrazide

3-ethyl-N'-[3-(methoxymethyl)benzoyl]-4-oxophthalazine-1-carbohydrazide (PubChem CID 9369810) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 3-ethyl-N'-[3-(methoxymethyl)benzoyl]-4-oxophthalazine-1-carbohydrazide.

Molecular Properties

Compound Name3-ethyl-N'-[3-(methoxymethyl)benzoyl]-4-oxophthalazine-1-carbohydrazide
PubChem CID9369810
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name3-ethyl-N'-[3-(methoxymethyl)benzoyl]-4-oxophthalazine-1-carbohydrazide
SMILESCCn1nc(C(=O)NNC(=O)c2cccc(COC)c2)c2ccccc2c1=O
InChIInChI=1S/C20H20N4O4/c1-3-24-20(27)16-10-5-4-9-15(16)17(23-24)19(26)22-21-18(25)14-8-6-7-13(11-14)12-28-2/h4-11H,3,12H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyXJLLKYRHQBWKLE-UHFFFAOYSA-N
XLogP1.64
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-ethyl-N'-[3-(methoxymethyl)benzoyl]-4-oxophthalazine-1-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(3,5-dimethoxybenzoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 2674005
3-ethyl-N'-(3-methoxy-4-phenylmethoxybenzoyl)-4-oxophthalazine-1-carbohydrazide
CID 27563734
N'-(2-chloropyridine-4-carbonyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 34654446
N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 55487454
3-butyl-N'-(3-chlorobenzoyl)-4-oxophthalazine-1-carbohydrazide
CID 2513605
N'-(1-benzofuran-2-carbonyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 8838626
3-ethyl-N'-[2-(3-methoxyanilino)acetyl]-4-oxophthalazine-1-carbohydrazide
CID 17451693
3-ethyl-4-oxo-N'-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]phthalazine-1-carbohydrazide
CID 35767282
3-ethyl-N'-(2-naphthalen-2-yloxyacetyl)-4-oxophthalazine-1-carbohydrazide
CID 7979968
3-ethyl-N'-(5-methylthiophene-2-carbonyl)-4-oxophthalazine-1-carbohydrazide
CID 27563716
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 7969430
3-ethyl-N'-[4-(5-methylpyrazol-1-yl)benzoyl]-4-oxophthalazine-1-carbohydrazide
CID 9369876

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N'-[3-(methoxymethyl)benzoyl]-4-oxophthalazine-1-carbohydrazide?
The IUPAC name of 3-ethyl-N'-[3-(methoxymethyl)benzoyl]-4-oxophthalazine-1-carbohydrazide (CID 9369810) is 3-ethyl-N'-[3-(methoxymethyl)benzoyl]-4-oxophthalazine-1-carbohydrazide.
What is the SMILES notation for 3-ethyl-N'-[3-(methoxymethyl)benzoyl]-4-oxophthalazine-1-carbohydrazide?
The canonical SMILES for 3-ethyl-N'-[3-(methoxymethyl)benzoyl]-4-oxophthalazine-1-carbohydrazide is CCn1nc(C(=O)NNC(=O)c2cccc(COC)c2)c2ccccc2c1=O.
What is the InChIKey of 3-ethyl-N'-[3-(methoxymethyl)benzoyl]-4-oxophthalazine-1-carbohydrazide?
The InChIKey is XJLLKYRHQBWKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-3-24-20(27)16-10-5-4-9-15(16)17(23-24)19(26)22-21-18(25)14-8-6-7-13(11-14)12-28-2/h4-11H,3,12H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of 3-ethyl-N'-[3-(methoxymethyl)benzoyl]-4-oxophthalazine-1-carbohydrazide?
3-ethyl-N'-[3-(methoxymethyl)benzoyl]-4-oxophthalazine-1-carbohydrazide has a molecular weight of 380.40 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N'-[3-(methoxymethyl)benzoyl]-4-oxophthalazine-1-carbohydrazide is sourced from PubChem (CID 9369810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).