N'-(2-methoxybenzoyl)-4-oxo-3-pentylphthalazine-1-carbohydrazide

C22H24N4O4 — CID 26889959

IUPACN'-(2-methoxybenzoyl)-4-oxo-3-pentylphthalazine-1-carbohydrazide
SMILESCCCCCn1nc(C(=O)NNC(=O)c2ccccc2OC)c2ccccc2c1=O
InChIInChI=1S/C22H24N4O4/c1-3-4-9-14-26-22(29)16-11-6-5-10-15(16)19(25-26)21(28)24-23-20(27)17-12-7-8-13-18(17)30-2/h5-8,10-13H,3-4,9,14H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyAYQLDXQVYSFQHK-UHFFFAOYSA-N
MW408.46 g/mol
LogP2.67
Rot. Bonds7

About N'-(2-methoxybenzoyl)-4-oxo-3-pentylphthalazine-1-carbohydrazide

N'-(2-methoxybenzoyl)-4-oxo-3-pentylphthalazine-1-carbohydrazide (PubChem CID 26889959) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is N'-(2-methoxybenzoyl)-4-oxo-3-pentylphthalazine-1-carbohydrazide.

Molecular Properties

Compound NameN'-(2-methoxybenzoyl)-4-oxo-3-pentylphthalazine-1-carbohydrazide
PubChem CID26889959
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC NameN'-(2-methoxybenzoyl)-4-oxo-3-pentylphthalazine-1-carbohydrazide
SMILESCCCCCn1nc(C(=O)NNC(=O)c2ccccc2OC)c2ccccc2c1=O
InChIInChI=1S/C22H24N4O4/c1-3-4-9-14-26-22(29)16-11-6-5-10-15(16)19(25-26)21(28)24-23-20(27)17-12-7-8-13-18(17)30-2/h5-8,10-13H,3-4,9,14H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyAYQLDXQVYSFQHK-UHFFFAOYSA-N
XLogP2.67
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[2-[[(4-oxo-3-pentylphthalazine-1-carbonyl)amino]carbamoyl]phenyl]sulfanylpropanoate
CID 55913406
N'-butanoyl-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 24540583
1-[(4-methylphenyl)methyl]-3-[(4-oxo-3-pentylphthalazine-1-carbonyl)amino]urea
CID 25493215
N-(3,5-dimethoxyphenyl)-4-oxo-3-pentylphthalazine-1-carboxamide
CID 4805820
(2-methoxyphenyl) 3-butyl-4-oxophthalazine-1-carboxylate
CID 4796370
4-oxo-3-pentyl-N'-(thiophene-3-carbonyl)phthalazine-1-carbohydrazide
CID 27679074
N-(3-methoxyphenyl)-4-oxo-3-pentylphthalazine-1-carboxamide
CID 4963988
3-butyl-4-oxo-N'-(pyridine-4-carbonyl)phthalazine-1-carbohydrazide
CID 7536105
N'-(4-methoxyphenyl)sulfonyl-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 26950404
N'-(2-butylsulfanylpropanoyl)-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 55923112
N'-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 26889919
3-hexyl-N-(3-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 2482884

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxybenzoyl)-4-oxo-3-pentylphthalazine-1-carbohydrazide?
The IUPAC name of N'-(2-methoxybenzoyl)-4-oxo-3-pentylphthalazine-1-carbohydrazide (CID 26889959) is N'-(2-methoxybenzoyl)-4-oxo-3-pentylphthalazine-1-carbohydrazide.
What is the SMILES notation for N'-(2-methoxybenzoyl)-4-oxo-3-pentylphthalazine-1-carbohydrazide?
The canonical SMILES for N'-(2-methoxybenzoyl)-4-oxo-3-pentylphthalazine-1-carbohydrazide is CCCCCn1nc(C(=O)NNC(=O)c2ccccc2OC)c2ccccc2c1=O.
What is the InChIKey of N'-(2-methoxybenzoyl)-4-oxo-3-pentylphthalazine-1-carbohydrazide?
The InChIKey is AYQLDXQVYSFQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-3-4-9-14-26-22(29)16-11-6-5-10-15(16)19(25-26)21(28)24-23-20(27)17-12-7-8-13-18(17)30-2/h5-8,10-13H,3-4,9,14H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N'-(2-methoxybenzoyl)-4-oxo-3-pentylphthalazine-1-carbohydrazide?
N'-(2-methoxybenzoyl)-4-oxo-3-pentylphthalazine-1-carbohydrazide has a molecular weight of 408.46 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxybenzoyl)-4-oxo-3-pentylphthalazine-1-carbohydrazide is sourced from PubChem (CID 26889959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).