3-methyl-4-oxo-N'-(2-phenylacetyl)phthalazine-1-carbohydrazide

C18H16N4O3 — CID 7750621

IUPAC3-methyl-4-oxo-N'-(2-phenylacetyl)phthalazine-1-carbohydrazide
SMILESCn1nc(C(=O)NNC(=O)Cc2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C18H16N4O3/c1-22-18(25)14-10-6-5-9-13(14)16(21-22)17(24)20-19-15(23)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,19,23)(H,20,24)
InChIKeyUOVWMXKNHBBSOS-UHFFFAOYSA-N
MW336.35 g/mol
LogP0.94
Rot. Bonds3

About 3-methyl-4-oxo-N'-(2-phenylacetyl)phthalazine-1-carbohydrazide

3-methyl-4-oxo-N'-(2-phenylacetyl)phthalazine-1-carbohydrazide (PubChem CID 7750621) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 3-methyl-4-oxo-N'-(2-phenylacetyl)phthalazine-1-carbohydrazide.

Molecular Properties

Compound Name3-methyl-4-oxo-N'-(2-phenylacetyl)phthalazine-1-carbohydrazide
PubChem CID7750621
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name3-methyl-4-oxo-N'-(2-phenylacetyl)phthalazine-1-carbohydrazide
SMILESCn1nc(C(=O)NNC(=O)Cc2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C18H16N4O3/c1-22-18(25)14-10-6-5-9-13(14)16(21-22)17(24)20-19-15(23)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,19,23)(H,20,24)
InChIKeyUOVWMXKNHBBSOS-UHFFFAOYSA-N
XLogP0.94
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-4-oxo-N'-(3-phenylbutanoyl)phthalazine-1-carbohydrazide
CID 42908214
N'-[3-(4-fluorophenyl)propanoyl]-3-methyl-4-oxophthalazine-1-carbohydrazide
CID 51195423
N'-[4-(1H-indol-3-yl)butanoyl]-3-methyl-4-oxophthalazine-1-carbohydrazide
CID 2580288
3-methyl-4-oxo-N'-(1H-pyrazole-5-carbonyl)phthalazine-1-carbohydrazide
CID 60520729
N'-(1-benzofuran-2-carbonyl)-3-methyl-4-oxophthalazine-1-carbohydrazide
CID 2674870
3-methyl-N'-(4-methylsulfonylbenzoyl)-4-oxophthalazine-1-carbohydrazide
CID 26873192
benzyl-methyl-[3-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]propyl]azanium
CID 9049370
N-(furan-2-ylmethyl)-2-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-2-oxoacetamide
CID 4854734
N'-(4-ethyl-5-propylthiophene-2-carbonyl)-3-methyl-4-oxophthalazine-1-carbohydrazide
CID 92530601
3-methyl-4-oxo-N-prop-2-enylphthalazine-1-carboxamide
CID 2449801
3-methyl-4-oxo-N-(2-phenylpropyl)phthalazine-1-carboxamide
CID 17400170
3-methyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]phthalazine-1-carboxamide
CID 9163172

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-oxo-N'-(2-phenylacetyl)phthalazine-1-carbohydrazide?
The IUPAC name of 3-methyl-4-oxo-N'-(2-phenylacetyl)phthalazine-1-carbohydrazide (CID 7750621) is 3-methyl-4-oxo-N'-(2-phenylacetyl)phthalazine-1-carbohydrazide.
What is the SMILES notation for 3-methyl-4-oxo-N'-(2-phenylacetyl)phthalazine-1-carbohydrazide?
The canonical SMILES for 3-methyl-4-oxo-N'-(2-phenylacetyl)phthalazine-1-carbohydrazide is Cn1nc(C(=O)NNC(=O)Cc2ccccc2)c2ccccc2c1=O.
What is the InChIKey of 3-methyl-4-oxo-N'-(2-phenylacetyl)phthalazine-1-carbohydrazide?
The InChIKey is UOVWMXKNHBBSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-22-18(25)14-10-6-5-9-13(14)16(21-22)17(24)20-19-15(23)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,19,23)(H,20,24).
What are the key properties of 3-methyl-4-oxo-N'-(2-phenylacetyl)phthalazine-1-carbohydrazide?
3-methyl-4-oxo-N'-(2-phenylacetyl)phthalazine-1-carbohydrazide has a molecular weight of 336.35 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-oxo-N'-(2-phenylacetyl)phthalazine-1-carbohydrazide is sourced from PubChem (CID 7750621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).