3-benzyl-N'-(2-methoxybenzoyl)-4-oxophthalazine-1-carbohydrazide

C24H20N4O4 — CID 2514968

IUPAC3-benzyl-N'-(2-methoxybenzoyl)-4-oxophthalazine-1-carbohydrazide
SMILESCOc1ccccc1C(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C24H20N4O4/c1-32-20-14-8-7-13-19(20)22(29)25-26-23(30)21-17-11-5-6-12-18(17)24(31)28(27-21)15-16-9-3-2-4-10-16/h2-14H,15H2,1H3,(H,25,29)(H,26,30)
InChIKeyBYCASKFJBGPQFS-UHFFFAOYSA-N
MW428.45 g/mol
LogP2.53
Rot. Bonds5

About 3-benzyl-N'-(2-methoxybenzoyl)-4-oxophthalazine-1-carbohydrazide

3-benzyl-N'-(2-methoxybenzoyl)-4-oxophthalazine-1-carbohydrazide (PubChem CID 2514968) has the molecular formula C24H20N4O4 and a molecular weight of 428.45 g/mol. Its IUPAC name is 3-benzyl-N'-(2-methoxybenzoyl)-4-oxophthalazine-1-carbohydrazide.

Molecular Properties

Compound Name3-benzyl-N'-(2-methoxybenzoyl)-4-oxophthalazine-1-carbohydrazide
PubChem CID2514968
Molecular FormulaC24H20N4O4
Molecular Weight428.45 g/mol
Exact Mass428.15
IUPAC Name3-benzyl-N'-(2-methoxybenzoyl)-4-oxophthalazine-1-carbohydrazide
SMILESCOc1ccccc1C(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C24H20N4O4/c1-32-20-14-8-7-13-19(20)22(29)25-26-23(30)21-17-11-5-6-12-18(17)24(31)28(27-21)15-16-9-3-2-4-10-16/h2-14H,15H2,1H3,(H,25,29)(H,26,30)
InChIKeyBYCASKFJBGPQFS-UHFFFAOYSA-N
XLogP2.53
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[3-(2-Methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 2953068
N'-[4-(difluoromethoxy)benzoyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 4802345
3-[(2-Methoxy-benzoyl)-hydrazono]-N-(4-methoxy-benzyl)-butyramide
CID 9591923
N-[[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]cyclohexanecarboxamide
CID 1502193
N'-(1-benzyl-4-piperidinylidene)-2-methoxybenzohydrazide
CID 840507
N-[2-(4-methoxyphenyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 2089484
3-ethyl-N'-[2-(4-ethylphenoxy)acetyl]-4-oxophthalazine-1-carbohydrazide
CID 2499805
3-ethyl-N'-[2-(2-methylphenoxy)acetyl]-4-oxophthalazine-1-carbohydrazide
CID 2670407
N'-[4-(difluoromethoxy)benzoyl]-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
CID 4855036
3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-4-oxophthalazine-1-carboxamide
CID 5130607
[3-(2-Methoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 5175604
(2Z)-N-benzyl-2-[(4-methoxybenzoyl)hydrazono]-2H-chromene-3-carboxamide
CID 6024801

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N'-(2-methoxybenzoyl)-4-oxophthalazine-1-carbohydrazide?
The IUPAC name of 3-benzyl-N'-(2-methoxybenzoyl)-4-oxophthalazine-1-carbohydrazide (CID 2514968) is 3-benzyl-N'-(2-methoxybenzoyl)-4-oxophthalazine-1-carbohydrazide.
What is the SMILES notation for 3-benzyl-N'-(2-methoxybenzoyl)-4-oxophthalazine-1-carbohydrazide?
The canonical SMILES for 3-benzyl-N'-(2-methoxybenzoyl)-4-oxophthalazine-1-carbohydrazide is COc1ccccc1C(=O)NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12.
What is the InChIKey of 3-benzyl-N'-(2-methoxybenzoyl)-4-oxophthalazine-1-carbohydrazide?
The InChIKey is BYCASKFJBGPQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4/c1-32-20-14-8-7-13-19(20)22(29)25-26-23(30)21-17-11-5-6-12-18(17)24(31)28(27-21)15-16-9-3-2-4-10-16/h2-14H,15H2,1H3,(H,25,29)(H,26,30).
What are the key properties of 3-benzyl-N'-(2-methoxybenzoyl)-4-oxophthalazine-1-carbohydrazide?
3-benzyl-N'-(2-methoxybenzoyl)-4-oxophthalazine-1-carbohydrazide has a molecular weight of 428.45 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N'-(2-methoxybenzoyl)-4-oxophthalazine-1-carbohydrazide is sourced from PubChem (CID 2514968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).