N'-(3,5-dimethoxybenzoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide

C20H20N4O5 — CID 2674005

IUPACN'-(3,5-dimethoxybenzoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide
SMILESCCn1nc(C(=O)NNC(=O)c2cc(OC)cc(OC)c2)c2ccccc2c1=O
InChIInChI=1S/C20H20N4O5/c1-4-24-20(27)16-8-6-5-7-15(16)17(23-24)19(26)22-21-18(25)12-9-13(28-2)11-14(10-12)29-3/h5-11H,4H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyZCTKFOXVJFNMML-UHFFFAOYSA-N
MW396.40 g/mol
LogP1.51
Rot. Bonds5

About N'-(3,5-dimethoxybenzoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide

N'-(3,5-dimethoxybenzoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide (PubChem CID 2674005) has the molecular formula C20H20N4O5 and a molecular weight of 396.40 g/mol. Its IUPAC name is N'-(3,5-dimethoxybenzoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide.

Molecular Properties

Compound NameN'-(3,5-dimethoxybenzoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide
PubChem CID2674005
Molecular FormulaC20H20N4O5
Molecular Weight396.40 g/mol
Exact Mass396.14
IUPAC NameN'-(3,5-dimethoxybenzoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide
SMILESCCn1nc(C(=O)NNC(=O)c2cc(OC)cc(OC)c2)c2ccccc2c1=O
InChIInChI=1S/C20H20N4O5/c1-4-24-20(27)16-8-6-5-7-15(16)17(23-24)19(26)22-21-18(25)12-9-13(28-2)11-14(10-12)29-3/h5-11H,4H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyZCTKFOXVJFNMML-UHFFFAOYSA-N
XLogP1.51
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-N'-[3-(methoxymethyl)benzoyl]-4-oxophthalazine-1-carbohydrazide
CID 9369810
3-ethyl-N'-(3-methoxy-4-phenylmethoxybenzoyl)-4-oxophthalazine-1-carbohydrazide
CID 27563734
3-ethyl-N'-[2-(3-methoxyanilino)acetyl]-4-oxophthalazine-1-carbohydrazide
CID 17451693
3-ethyl-N-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 2540338
N'-(2-chloropyridine-4-carbonyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 34654446
3-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-4-oxophthalazine-1-carboxamide
CID 26710366
3-ethyl-N'-(2-naphthalen-2-yloxyacetyl)-4-oxophthalazine-1-carbohydrazide
CID 7979968
N-(3,5-dimethoxyphenyl)-4-oxo-3-pentylphthalazine-1-carboxamide
CID 4805820
3-ethyl-N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-4-oxophthalazine-1-carboxamide
CID 135749640
N'-(3-chloro-1-benzothiophene-2-carbonyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 27563829
3-ethyl-N'-(5-methylthiophene-2-carbonyl)-4-oxophthalazine-1-carbohydrazide
CID 27563716
N'-(1-benzofuran-2-carbonyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 8838626

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dimethoxybenzoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide?
The IUPAC name of N'-(3,5-dimethoxybenzoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide (CID 2674005) is N'-(3,5-dimethoxybenzoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide.
What is the SMILES notation for N'-(3,5-dimethoxybenzoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide?
The canonical SMILES for N'-(3,5-dimethoxybenzoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide is CCn1nc(C(=O)NNC(=O)c2cc(OC)cc(OC)c2)c2ccccc2c1=O.
What is the InChIKey of N'-(3,5-dimethoxybenzoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide?
The InChIKey is ZCTKFOXVJFNMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O5/c1-4-24-20(27)16-8-6-5-7-15(16)17(23-24)19(26)22-21-18(25)12-9-13(28-2)11-14(10-12)29-3/h5-11H,4H2,1-3H3,(H,21,25)(H,22,26).
What are the key properties of N'-(3,5-dimethoxybenzoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide?
N'-(3,5-dimethoxybenzoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide has a molecular weight of 396.40 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dimethoxybenzoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide is sourced from PubChem (CID 2674005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).