N'-(5-chloro-2-methoxybenzoyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide

C20H19ClN4O4 — CID 26874893

IUPACN'-(5-chloro-2-methoxybenzoyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12
InChIInChI=1S/C20H19ClN4O4/c1-11(2)25-20(28)14-7-5-4-6-13(14)17(24-25)19(27)23-22-18(26)15-10-12(21)8-9-16(15)29-3/h4-11H,1-3H3,(H,22,26)(H,23,27)
InChIKeyCVXWIIVSESKTOI-UHFFFAOYSA-N
MW414.85 g/mol
LogP2.71
Rot. Bonds4

About N'-(5-chloro-2-methoxybenzoyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide

N'-(5-chloro-2-methoxybenzoyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide (PubChem CID 26874893) has the molecular formula C20H19ClN4O4 and a molecular weight of 414.85 g/mol. Its IUPAC name is N'-(5-chloro-2-methoxybenzoyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide.

Molecular Properties

Compound NameN'-(5-chloro-2-methoxybenzoyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
PubChem CID26874893
Molecular FormulaC20H19ClN4O4
Molecular Weight414.85 g/mol
Exact Mass414.11
IUPAC NameN'-(5-chloro-2-methoxybenzoyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12
InChIInChI=1S/C20H19ClN4O4/c1-11(2)25-20(28)14-7-5-4-6-13(14)17(24-25)19(27)23-22-18(26)15-10-12(21)8-9-16(15)29-3/h4-11H,1-3H3,(H,22,26)(H,23,27)
InChIKeyCVXWIIVSESKTOI-UHFFFAOYSA-N
XLogP2.71
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.85
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 2713554
3-[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 16539176
N'-(4,5-dichloro-6-methylpyridine-3-carbonyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
CID 71914401
4-oxo-3-propan-2-yl-N'-[3-(2,3,4-trimethoxyphenyl)propanoyl]phthalazine-1-carbohydrazide
CID 55882502
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
N'-(2,3-dimethylbenzoyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
CID 55341302
N'-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)benzo[f]quinoline-5-carbohydrazide
CID 55786854
N'-(5-chloro-2-hydroxybenzoyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carbohydrazide
CID 55468035
N-[3-methyl-1-oxo-1-[2-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)hydrazinyl]butan-2-yl]acetamide
CID 42888349
(2-methoxyphenyl) 4-oxo-3-propan-2-ylphthalazine-1-carboxylate
CID 51149613
methyl (2S)-2-[(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)amino]propanoate
CID 87040056
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 4-oxo-3-propan-2-ylphthalazine-1-carboxylate
CID 46818084

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methoxybenzoyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide?
The IUPAC name of N'-(5-chloro-2-methoxybenzoyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide (CID 26874893) is N'-(5-chloro-2-methoxybenzoyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide.
What is the SMILES notation for N'-(5-chloro-2-methoxybenzoyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide?
The canonical SMILES for N'-(5-chloro-2-methoxybenzoyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide is COc1ccc(Cl)cc1C(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12.
What is the InChIKey of N'-(5-chloro-2-methoxybenzoyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide?
The InChIKey is CVXWIIVSESKTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O4/c1-11(2)25-20(28)14-7-5-4-6-13(14)17(24-25)19(27)23-22-18(26)15-10-12(21)8-9-16(15)29-3/h4-11H,1-3H3,(H,22,26)(H,23,27).
What are the key properties of N'-(5-chloro-2-methoxybenzoyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide?
N'-(5-chloro-2-methoxybenzoyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide has a molecular weight of 414.85 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methoxybenzoyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide is sourced from PubChem (CID 26874893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).