4-oxo-N'-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-3-propylphthalazine-1-carbohydrazide

C22H21N5O4 — CID 55507090

IUPAC4-oxo-N'-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-3-propylphthalazine-1-carbohydrazide
SMILESCCCn1nc(C(=O)NNC(=O)C2CC(=O)Nc3ccccc32)c2ccccc2c1=O
InChIInChI=1S/C22H21N5O4/c1-2-11-27-22(31)15-9-4-3-8-14(15)19(26-27)21(30)25-24-20(29)16-12-18(28)23-17-10-6-5-7-13(16)17/h3-10,16H,2,11-12H2,1H3,(H,23,28)(H,24,29)(H,25,30)
InChIKeyHKJIKRJUQVMQSH-UHFFFAOYSA-N
MW419.44 g/mol
LogP1.69
Rot. Bonds4

About 4-oxo-N'-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-3-propylphthalazine-1-carbohydrazide

4-oxo-N'-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-3-propylphthalazine-1-carbohydrazide (PubChem CID 55507090) has the molecular formula C22H21N5O4 and a molecular weight of 419.44 g/mol. Its IUPAC name is 4-oxo-N'-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-3-propylphthalazine-1-carbohydrazide.

Molecular Properties

Compound Name4-oxo-N'-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-3-propylphthalazine-1-carbohydrazide
PubChem CID55507090
Molecular FormulaC22H21N5O4
Molecular Weight419.44 g/mol
Exact Mass419.16
IUPAC Name4-oxo-N'-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-3-propylphthalazine-1-carbohydrazide
SMILESCCCn1nc(C(=O)NNC(=O)C2CC(=O)Nc3ccccc32)c2ccccc2c1=O
InChIInChI=1S/C22H21N5O4/c1-2-11-27-22(31)15-9-4-3-8-14(15)19(26-27)21(30)25-24-20(29)16-12-18(28)23-17-10-6-5-7-13(16)17/h3-10,16H,2,11-12H2,1H3,(H,23,28)(H,24,29)(H,25,30)
InChIKeyHKJIKRJUQVMQSH-UHFFFAOYSA-N
XLogP1.69
TPSA122.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-oxo-N'-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-3-propylphthalazine-1-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(cyclohex-3-ene-1-carbonyl)-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 42888146
5-cyclopropyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-1,2-oxazole-3-carbohydrazide
CID 32658761
N'-[2-(4-fluorophenyl)sulfanylacetyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 27551825
1-benzyl-3-[2-oxo-2-[2-(4-oxo-3-propylphthalazine-1-carbonyl)hydrazinyl]ethyl]urea
CID 27552401
N-(2-hydroxyethyl)-4-oxo-3-propylphthalazine-1-carboxamide
CID 2110499
2,4-dimethyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 55341289
N'-butanoyl-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 24540583
2-oxo-N'-(1H-pyrrole-2-carbonyl)-3,4-dihydro-1H-quinoline-4-carbohydrazide
CID 78835133
4-oxo-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]-3-propylphthalazine-1-carbohydrazide
CID 9327076
2,2,2-trifluoroethyl 4-[[(4-oxo-3-propylphthalazine-1-carbonyl)amino]carbamoyl]piperidine-1-carboxylate
CID 46538816
4-ethyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)thiadiazole-5-carbohydrazide
CID 46638081
N'-[3-(4-ethylphenyl)propanoyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 9428189

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N'-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-3-propylphthalazine-1-carbohydrazide?
The IUPAC name of 4-oxo-N'-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-3-propylphthalazine-1-carbohydrazide (CID 55507090) is 4-oxo-N'-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-3-propylphthalazine-1-carbohydrazide.
What is the SMILES notation for 4-oxo-N'-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-3-propylphthalazine-1-carbohydrazide?
The canonical SMILES for 4-oxo-N'-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-3-propylphthalazine-1-carbohydrazide is CCCn1nc(C(=O)NNC(=O)C2CC(=O)Nc3ccccc32)c2ccccc2c1=O.
What is the InChIKey of 4-oxo-N'-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-3-propylphthalazine-1-carbohydrazide?
The InChIKey is HKJIKRJUQVMQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O4/c1-2-11-27-22(31)15-9-4-3-8-14(15)19(26-27)21(30)25-24-20(29)16-12-18(28)23-17-10-6-5-7-13(16)17/h3-10,16H,2,11-12H2,1H3,(H,23,28)(H,24,29)(H,25,30).
What are the key properties of 4-oxo-N'-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-3-propylphthalazine-1-carbohydrazide?
4-oxo-N'-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-3-propylphthalazine-1-carbohydrazide has a molecular weight of 419.44 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N'-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-3-propylphthalazine-1-carbohydrazide is sourced from PubChem (CID 55507090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).