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

C19H18N4O3 — CID 4848584

IUPAC4-oxo-N'-(4-propan-2-ylbenzoyl)-3H-phthalazine-1-carbohydrazide
SMILESCC(C)c1ccc(C(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)cc1
InChIInChI=1S/C19H18N4O3/c1-11(2)12-7-9-13(10-8-12)17(24)21-23-19(26)16-14-5-3-4-6-15(14)18(25)22-20-16/h3-11H,1-2H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyPLRKOLKGSAFJTN-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.12
Rot. Bonds3

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

4-oxo-N'-(4-propan-2-ylbenzoyl)-3H-phthalazine-1-carbohydrazide (PubChem CID 4848584) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 4-oxo-N'-(4-propan-2-ylbenzoyl)-3H-phthalazine-1-carbohydrazide.

Molecular Properties

Compound Name4-oxo-N'-(4-propan-2-ylbenzoyl)-3H-phthalazine-1-carbohydrazide
PubChem CID4848584
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name4-oxo-N'-(4-propan-2-ylbenzoyl)-3H-phthalazine-1-carbohydrazide
SMILESCC(C)c1ccc(C(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)cc1
InChIInChI=1S/C19H18N4O3/c1-11(2)12-7-9-13(10-8-12)17(24)21-23-19(26)16-14-5-3-4-6-15(14)18(25)22-20-16/h3-11H,1-2H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyPLRKOLKGSAFJTN-UHFFFAOYSA-N
XLogP2.12
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.12
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

4-Phenyl-1-(2H)-phthalazinone
CID 219150
4-Benzyl-1(2H)-phthalazinone
CID 616651
1-Hydroxy-4-methylphthalazine
CID 21103
4-(4-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)butyl)phthalazin-1(2H)-one
CID 10237099
N,N-dimethyl-4-(4-oxo-3H-phthalazin-1-yl)benzamide
CID 738018
3-methyl-N'-(1-phenylbutylidene)benzohydrazide
CID 5879645
US20230159469, Example 97
CID 157040134
4-Oxo-3,4-dihydrophthalazine-1-carbohydrazide
CID 916055
4-(4-Fluorophenyl)-1,2-dihydrophthalazin-1-one
CID 722258
3-Methyl-4-oxo-3,4-dihydrophthalazine-1-carbohydrazide
CID 604579
N'-(4-bromobenzoyl)-4-oxo-3H-phthalazine-1-carbohydrazide
CID 2571643
N'-Benzoyl-3-ethyl-4-oxo-3,4-dihydrophthalazine-1-carbohydrazide
CID 2674869

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N'-(4-propan-2-ylbenzoyl)-3H-phthalazine-1-carbohydrazide?
The IUPAC name of 4-oxo-N'-(4-propan-2-ylbenzoyl)-3H-phthalazine-1-carbohydrazide (CID 4848584) is 4-oxo-N'-(4-propan-2-ylbenzoyl)-3H-phthalazine-1-carbohydrazide.
What is the SMILES notation for 4-oxo-N'-(4-propan-2-ylbenzoyl)-3H-phthalazine-1-carbohydrazide?
The canonical SMILES for 4-oxo-N'-(4-propan-2-ylbenzoyl)-3H-phthalazine-1-carbohydrazide is CC(C)c1ccc(C(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)cc1.
What is the InChIKey of 4-oxo-N'-(4-propan-2-ylbenzoyl)-3H-phthalazine-1-carbohydrazide?
The InChIKey is PLRKOLKGSAFJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-11(2)12-7-9-13(10-8-12)17(24)21-23-19(26)16-14-5-3-4-6-15(14)18(25)22-20-16/h3-11H,1-2H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of 4-oxo-N'-(4-propan-2-ylbenzoyl)-3H-phthalazine-1-carbohydrazide?
4-oxo-N'-(4-propan-2-ylbenzoyl)-3H-phthalazine-1-carbohydrazide has a molecular weight of 350.38 g/mol, XLogP of 2.12, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N'-(4-propan-2-ylbenzoyl)-3H-phthalazine-1-carbohydrazide is sourced from PubChem (CID 4848584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).