4-oxo-N'-(2-phenylbenzoyl)-3H-phthalazine-1-carbohydrazide

C22H16N4O3 — CID 27565264

IUPAC4-oxo-N'-(2-phenylbenzoyl)-3H-phthalazine-1-carbohydrazide
SMILESO=C(NNC(=O)c1n[nH]c(=O)c2ccccc12)c1ccccc1-c1ccccc1
InChIInChI=1S/C22H16N4O3/c27-20(17-12-6-4-10-15(17)14-8-2-1-3-9-14)25-26-22(29)19-16-11-5-7-13-18(16)21(28)24-23-19/h1-13H,(H,24,28)(H,25,27)(H,26,29)
InChIKeyAHMWUQZXNCCCJE-UHFFFAOYSA-N
MW384.40 g/mol
LogP2.66
Rot. Bonds3

About 4-oxo-N'-(2-phenylbenzoyl)-3H-phthalazine-1-carbohydrazide

4-oxo-N'-(2-phenylbenzoyl)-3H-phthalazine-1-carbohydrazide (PubChem CID 27565264) has the molecular formula C22H16N4O3 and a molecular weight of 384.40 g/mol. Its IUPAC name is 4-oxo-N'-(2-phenylbenzoyl)-3H-phthalazine-1-carbohydrazide.

Molecular Properties

Compound Name4-oxo-N'-(2-phenylbenzoyl)-3H-phthalazine-1-carbohydrazide
PubChem CID27565264
Molecular FormulaC22H16N4O3
Molecular Weight384.40 g/mol
Exact Mass384.12
IUPAC Name4-oxo-N'-(2-phenylbenzoyl)-3H-phthalazine-1-carbohydrazide
SMILESO=C(NNC(=O)c1n[nH]c(=O)c2ccccc12)c1ccccc1-c1ccccc1
InChIInChI=1S/C22H16N4O3/c27-20(17-12-6-4-10-15(17)14-8-2-1-3-9-14)25-26-22(29)19-16-11-5-7-13-18(16)21(28)24-23-19/h1-13H,(H,24,28)(H,25,27)(H,26,29)
InChIKeyAHMWUQZXNCCCJE-UHFFFAOYSA-N
XLogP2.66
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-methylbutanoyl)-4-oxo-3H-phthalazine-1-carbohydrazide
CID 134012030
N'-(5-bromo-2-hydroxybenzoyl)-4-oxo-3H-phthalazine-1-carbohydrazide
CID 27163402
N'-(1-methylpyrrole-2-carbonyl)-4-oxo-3H-phthalazine-1-carbohydrazide
CID 78780136
5-methyl-N'-(4-oxo-3H-phthalazine-1-carbonyl)-3-phenyl-1,2-oxazole-4-carbohydrazide
CID 40672321
4-oxo-N'-(2,3,4,5,6-pentafluorophenyl)-3H-phthalazine-1-carbohydrazide
CID 17435460
(2R)-4-hydroxy-2-[(4-oxo-3H-phthalazine-1-carbonyl)amino]butanoic acid
CID 107822736
N'-(4-methylpentanoyl)-4-oxo-3H-phthalazine-1-carbohydrazide
CID 26873554
N-(5,6-dimethyl-4-phenyl-2-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 155501513
4-oxo-N'-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)-3H-phthalazine-1-carbohydrazide
CID 27565418
N'-(3-chloro-1-benzothiophene-2-carbonyl)-4-oxo-3H-phthalazine-1-carbohydrazide
CID 18227296
N'-(4-methoxy-1-phenylpyrazole-3-carbonyl)-4-oxo-3H-phthalazine-1-carbohydrazide
CID 24514493
N-(4-fluorophenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 4163288

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N'-(2-phenylbenzoyl)-3H-phthalazine-1-carbohydrazide?
The IUPAC name of 4-oxo-N'-(2-phenylbenzoyl)-3H-phthalazine-1-carbohydrazide (CID 27565264) is 4-oxo-N'-(2-phenylbenzoyl)-3H-phthalazine-1-carbohydrazide.
What is the SMILES notation for 4-oxo-N'-(2-phenylbenzoyl)-3H-phthalazine-1-carbohydrazide?
The canonical SMILES for 4-oxo-N'-(2-phenylbenzoyl)-3H-phthalazine-1-carbohydrazide is O=C(NNC(=O)c1n[nH]c(=O)c2ccccc12)c1ccccc1-c1ccccc1.
What is the InChIKey of 4-oxo-N'-(2-phenylbenzoyl)-3H-phthalazine-1-carbohydrazide?
The InChIKey is AHMWUQZXNCCCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O3/c27-20(17-12-6-4-10-15(17)14-8-2-1-3-9-14)25-26-22(29)19-16-11-5-7-13-18(16)21(28)24-23-19/h1-13H,(H,24,28)(H,25,27)(H,26,29).
What are the key properties of 4-oxo-N'-(2-phenylbenzoyl)-3H-phthalazine-1-carbohydrazide?
4-oxo-N'-(2-phenylbenzoyl)-3H-phthalazine-1-carbohydrazide has a molecular weight of 384.40 g/mol, XLogP of 2.66, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N'-(2-phenylbenzoyl)-3H-phthalazine-1-carbohydrazide is sourced from PubChem (CID 27565264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).