N'-(cyclohex-3-ene-1-carbonyl)-4-oxo-3-propylphthalazine-1-carbohydrazide

C19H22N4O3 — CID 42888146

IUPACN'-(cyclohex-3-ene-1-carbonyl)-4-oxo-3-propylphthalazine-1-carbohydrazide
SMILESCCCn1nc(C(=O)NNC(=O)C2CC=CCC2)c2ccccc2c1=O
InChIInChI=1S/C19H22N4O3/c1-2-12-23-19(26)15-11-7-6-10-14(15)16(22-23)18(25)21-20-17(24)13-8-4-3-5-9-13/h3-4,6-7,10-11,13H,2,5,8-9,12H2,1H3,(H,20,24)(H,21,25)
InChIKeyFLYQDGPZCJCBHA-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.92
Rot. Bonds4

About N'-(cyclohex-3-ene-1-carbonyl)-4-oxo-3-propylphthalazine-1-carbohydrazide

N'-(cyclohex-3-ene-1-carbonyl)-4-oxo-3-propylphthalazine-1-carbohydrazide (PubChem CID 42888146) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N'-(cyclohex-3-ene-1-carbonyl)-4-oxo-3-propylphthalazine-1-carbohydrazide.

Molecular Properties

Compound NameN'-(cyclohex-3-ene-1-carbonyl)-4-oxo-3-propylphthalazine-1-carbohydrazide
PubChem CID42888146
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN'-(cyclohex-3-ene-1-carbonyl)-4-oxo-3-propylphthalazine-1-carbohydrazide
SMILESCCCn1nc(C(=O)NNC(=O)C2CC=CCC2)c2ccccc2c1=O
InChIInChI=1S/C19H22N4O3/c1-2-12-23-19(26)15-11-7-6-10-14(15)16(22-23)18(25)21-20-17(24)13-8-4-3-5-9-13/h3-4,6-7,10-11,13H,2,5,8-9,12H2,1H3,(H,20,24)(H,21,25)
InChIKeyFLYQDGPZCJCBHA-UHFFFAOYSA-N
XLogP1.92
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoroethyl 4-[[(4-oxo-3-propylphthalazine-1-carbonyl)amino]carbamoyl]piperidine-1-carboxylate
CID 46538816
4-oxo-N'-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-3-propylphthalazine-1-carbohydrazide
CID 55507090
N'-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 55683318
3-ethyl-N'-(1-methylsulfonylpiperidine-2-carbonyl)-4-oxophthalazine-1-carbohydrazide
CID 16580980
5-cyclopropyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-1,2-oxazole-3-carbohydrazide
CID 32658761
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-oxo-3-propylphthalazine-1-carboxamide
CID 46539232
4-oxo-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]-3-propylphthalazine-1-carbohydrazide
CID 9327076
4-oxo-3-pentyl-N'-(1-propylsulfonylpyrrolidine-2-carbonyl)phthalazine-1-carbohydrazide
CID 55526615
N'-(1-benzofuran-2-carbonyl)-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 8839224
N-[[4-oxo-3-(2-pyrrolidin-1-ylethyl)phthalazin-1-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 90490571
4-oxo-N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-3-propylphthalazine-1-carbohydrazide
CID 9327071
N-(2-hydroxyethyl)-4-oxo-3-propylphthalazine-1-carboxamide
CID 2110499

Frequently Asked Questions

What is the IUPAC name of N'-(cyclohex-3-ene-1-carbonyl)-4-oxo-3-propylphthalazine-1-carbohydrazide?
The IUPAC name of N'-(cyclohex-3-ene-1-carbonyl)-4-oxo-3-propylphthalazine-1-carbohydrazide (CID 42888146) is N'-(cyclohex-3-ene-1-carbonyl)-4-oxo-3-propylphthalazine-1-carbohydrazide.
What is the SMILES notation for N'-(cyclohex-3-ene-1-carbonyl)-4-oxo-3-propylphthalazine-1-carbohydrazide?
The canonical SMILES for N'-(cyclohex-3-ene-1-carbonyl)-4-oxo-3-propylphthalazine-1-carbohydrazide is CCCn1nc(C(=O)NNC(=O)C2CC=CCC2)c2ccccc2c1=O.
What is the InChIKey of N'-(cyclohex-3-ene-1-carbonyl)-4-oxo-3-propylphthalazine-1-carbohydrazide?
The InChIKey is FLYQDGPZCJCBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-2-12-23-19(26)15-11-7-6-10-14(15)16(22-23)18(25)21-20-17(24)13-8-4-3-5-9-13/h3-4,6-7,10-11,13H,2,5,8-9,12H2,1H3,(H,20,24)(H,21,25).
What are the key properties of N'-(cyclohex-3-ene-1-carbonyl)-4-oxo-3-propylphthalazine-1-carbohydrazide?
N'-(cyclohex-3-ene-1-carbonyl)-4-oxo-3-propylphthalazine-1-carbohydrazide has a molecular weight of 354.41 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohex-3-ene-1-carbonyl)-4-oxo-3-propylphthalazine-1-carbohydrazide is sourced from PubChem (CID 42888146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).