3-ethyl-N'-(3-methoxy-4-phenylmethoxybenzoyl)-4-oxophthalazine-1-carbohydrazide

C26H24N4O5 — CID 27563734

IUPAC3-ethyl-N'-(3-methoxy-4-phenylmethoxybenzoyl)-4-oxophthalazine-1-carbohydrazide
SMILESCCn1nc(C(=O)NNC(=O)c2ccc(OCc3ccccc3)c(OC)c2)c2ccccc2c1=O
InChIInChI=1S/C26H24N4O5/c1-3-30-26(33)20-12-8-7-11-19(20)23(29-30)25(32)28-27-24(31)18-13-14-21(22(15-18)34-2)35-16-17-9-5-4-6-10-17/h4-15H,3,16H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyJBJIOOPADWQJOG-UHFFFAOYSA-N
MW472.50 g/mol
LogP3.08
Rot. Bonds7

About 3-ethyl-N'-(3-methoxy-4-phenylmethoxybenzoyl)-4-oxophthalazine-1-carbohydrazide

3-ethyl-N'-(3-methoxy-4-phenylmethoxybenzoyl)-4-oxophthalazine-1-carbohydrazide (PubChem CID 27563734) has the molecular formula C26H24N4O5 and a molecular weight of 472.50 g/mol. Its IUPAC name is 3-ethyl-N'-(3-methoxy-4-phenylmethoxybenzoyl)-4-oxophthalazine-1-carbohydrazide.

Molecular Properties

Compound Name3-ethyl-N'-(3-methoxy-4-phenylmethoxybenzoyl)-4-oxophthalazine-1-carbohydrazide
PubChem CID27563734
Molecular FormulaC26H24N4O5
Molecular Weight472.50 g/mol
Exact Mass472.17
IUPAC Name3-ethyl-N'-(3-methoxy-4-phenylmethoxybenzoyl)-4-oxophthalazine-1-carbohydrazide
SMILESCCn1nc(C(=O)NNC(=O)c2ccc(OCc3ccccc3)c(OC)c2)c2ccccc2c1=O
InChIInChI=1S/C26H24N4O5/c1-3-30-26(33)20-12-8-7-11-19(20)23(29-30)25(32)28-27-24(31)18-13-14-21(22(15-18)34-2)35-16-17-9-5-4-6-10-17/h4-15H,3,16H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyJBJIOOPADWQJOG-UHFFFAOYSA-N
XLogP3.08
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.50
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-ethyl-N'-(3-methoxy-4-phenylmethoxybenzoyl)-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
N'-(2-chloropyridine-4-carbonyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 34654446
N'-(4-ethoxybenzoyl)-3-methoxy-4-phenylmethoxybenzohydrazide
CID 9492724
methyl 2-[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]-4,5-dimethoxybenzoate
CID 7742229
N'-[2-(2,4-dichlorophenoxy)acetyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 4806038
3-benzyl-N'-(2,3-dihydro-1H-indene-5-carbonyl)-4-oxophthalazine-1-carbohydrazide
CID 34057571
(5-acetyl-2-methoxyphenyl)methyl 3-ethyl-4-oxophthalazine-1-carboxylate
CID 7270576
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate
CID 55309023
N'-(3,4-dimethoxyphenyl)sulfonyl-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 26949643
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 4806034
3-ethyl-N'-(2-naphthalen-2-yloxyacetyl)-4-oxophthalazine-1-carbohydrazide
CID 7979968

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N'-(3-methoxy-4-phenylmethoxybenzoyl)-4-oxophthalazine-1-carbohydrazide?
The IUPAC name of 3-ethyl-N'-(3-methoxy-4-phenylmethoxybenzoyl)-4-oxophthalazine-1-carbohydrazide (CID 27563734) is 3-ethyl-N'-(3-methoxy-4-phenylmethoxybenzoyl)-4-oxophthalazine-1-carbohydrazide.
What is the SMILES notation for 3-ethyl-N'-(3-methoxy-4-phenylmethoxybenzoyl)-4-oxophthalazine-1-carbohydrazide?
The canonical SMILES for 3-ethyl-N'-(3-methoxy-4-phenylmethoxybenzoyl)-4-oxophthalazine-1-carbohydrazide is CCn1nc(C(=O)NNC(=O)c2ccc(OCc3ccccc3)c(OC)c2)c2ccccc2c1=O.
What is the InChIKey of 3-ethyl-N'-(3-methoxy-4-phenylmethoxybenzoyl)-4-oxophthalazine-1-carbohydrazide?
The InChIKey is JBJIOOPADWQJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O5/c1-3-30-26(33)20-12-8-7-11-19(20)23(29-30)25(32)28-27-24(31)18-13-14-21(22(15-18)34-2)35-16-17-9-5-4-6-10-17/h4-15H,3,16H2,1-2H3,(H,27,31)(H,28,32).
What are the key properties of 3-ethyl-N'-(3-methoxy-4-phenylmethoxybenzoyl)-4-oxophthalazine-1-carbohydrazide?
3-ethyl-N'-(3-methoxy-4-phenylmethoxybenzoyl)-4-oxophthalazine-1-carbohydrazide has a molecular weight of 472.50 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N'-(3-methoxy-4-phenylmethoxybenzoyl)-4-oxophthalazine-1-carbohydrazide is sourced from PubChem (CID 27563734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).