4-oxo-3-propan-2-yl-N'-[3-(2,3,4-trimethoxyphenyl)propanoyl]phthalazine-1-carbohydrazide

C24H28N4O6 — CID 55882502

IUPAC4-oxo-3-propan-2-yl-N'-[3-(2,3,4-trimethoxyphenyl)propanoyl]phthalazine-1-carbohydrazide
SMILESCOc1ccc(CCC(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)c(OC)c1OC
InChIInChI=1S/C24H28N4O6/c1-14(2)28-24(31)17-9-7-6-8-16(17)20(27-28)23(30)26-25-19(29)13-11-15-10-12-18(32-3)22(34-5)21(15)33-4/h6-10,12,14H,11,13H2,1-5H3,(H,25,29)(H,26,30)
InChIKeyGPRREYMDZQTYTO-UHFFFAOYSA-N
MW468.51 g/mol
LogP2.40
Rot. Bonds8

About 4-oxo-3-propan-2-yl-N'-[3-(2,3,4-trimethoxyphenyl)propanoyl]phthalazine-1-carbohydrazide

4-oxo-3-propan-2-yl-N'-[3-(2,3,4-trimethoxyphenyl)propanoyl]phthalazine-1-carbohydrazide (PubChem CID 55882502) has the molecular formula C24H28N4O6 and a molecular weight of 468.51 g/mol. Its IUPAC name is 4-oxo-3-propan-2-yl-N'-[3-(2,3,4-trimethoxyphenyl)propanoyl]phthalazine-1-carbohydrazide.

Molecular Properties

Compound Name4-oxo-3-propan-2-yl-N'-[3-(2,3,4-trimethoxyphenyl)propanoyl]phthalazine-1-carbohydrazide
PubChem CID55882502
Molecular FormulaC24H28N4O6
Molecular Weight468.51 g/mol
Exact Mass468.20
IUPAC Name4-oxo-3-propan-2-yl-N'-[3-(2,3,4-trimethoxyphenyl)propanoyl]phthalazine-1-carbohydrazide
SMILESCOc1ccc(CCC(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)c(OC)c1OC
InChIInChI=1S/C24H28N4O6/c1-14(2)28-24(31)17-9-7-6-8-16(17)20(27-28)23(30)26-25-19(29)13-11-15-10-12-18(32-3)22(34-5)21(15)33-4/h6-10,12,14H,11,13H2,1-5H3,(H,25,29)(H,26,30)
InChIKeyGPRREYMDZQTYTO-UHFFFAOYSA-N
XLogP2.40
TPSA120.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-methylphenyl)acetyl]-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
CID 27566475
N'-(5-chloro-2-methoxybenzoyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
CID 26874893
N-methyl-4-[3-oxo-3-[2-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)hydrazinyl]propyl]benzenesulfonamide
CID 27566478
N'-(3-cyclopentylpropanoyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
CID 26874862
4-oxo-N'-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]-3-propan-2-ylphthalazine-1-carbohydrazide
CID 27566522
4-oxo-3-propan-2-yl-N'-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]phthalazine-1-carbohydrazide
CID 35767753
N-(3-benzyl-4-methoxyphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 55446782
N-[3-oxo-3-[2-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)hydrazinyl]propyl]naphthalene-2-carboxamide
CID 55581098
N-(3-chloro-4-methoxyphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 2713554
N'-[3-(1-methyltetrazol-5-yl)sulfanylpropanoyl]-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
CID 55913660
N-[4-[(2-methoxyacetyl)amino]phenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 46421233
N-[3-methyl-1-oxo-1-[2-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)hydrazinyl]butan-2-yl]acetamide
CID 42888349

Frequently Asked Questions

What is the IUPAC name of 4-oxo-3-propan-2-yl-N'-[3-(2,3,4-trimethoxyphenyl)propanoyl]phthalazine-1-carbohydrazide?
The IUPAC name of 4-oxo-3-propan-2-yl-N'-[3-(2,3,4-trimethoxyphenyl)propanoyl]phthalazine-1-carbohydrazide (CID 55882502) is 4-oxo-3-propan-2-yl-N'-[3-(2,3,4-trimethoxyphenyl)propanoyl]phthalazine-1-carbohydrazide.
What is the SMILES notation for 4-oxo-3-propan-2-yl-N'-[3-(2,3,4-trimethoxyphenyl)propanoyl]phthalazine-1-carbohydrazide?
The canonical SMILES for 4-oxo-3-propan-2-yl-N'-[3-(2,3,4-trimethoxyphenyl)propanoyl]phthalazine-1-carbohydrazide is COc1ccc(CCC(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)c(OC)c1OC.
What is the InChIKey of 4-oxo-3-propan-2-yl-N'-[3-(2,3,4-trimethoxyphenyl)propanoyl]phthalazine-1-carbohydrazide?
The InChIKey is GPRREYMDZQTYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O6/c1-14(2)28-24(31)17-9-7-6-8-16(17)20(27-28)23(30)26-25-19(29)13-11-15-10-12-18(32-3)22(34-5)21(15)33-4/h6-10,12,14H,11,13H2,1-5H3,(H,25,29)(H,26,30).
What are the key properties of 4-oxo-3-propan-2-yl-N'-[3-(2,3,4-trimethoxyphenyl)propanoyl]phthalazine-1-carbohydrazide?
4-oxo-3-propan-2-yl-N'-[3-(2,3,4-trimethoxyphenyl)propanoyl]phthalazine-1-carbohydrazide has a molecular weight of 468.51 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3-propan-2-yl-N'-[3-(2,3,4-trimethoxyphenyl)propanoyl]phthalazine-1-carbohydrazide is sourced from PubChem (CID 55882502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).