4-oxo-N'-[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]-3H-phthalazine-1-carbohydrazide

C21H19N5O5 — CID 24514501

IUPAC4-oxo-N'-[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]-3H-phthalazine-1-carbohydrazide
SMILESO=C(COc1cccc(N2CCCC2=O)c1)NNC(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C21H19N5O5/c27-17(12-31-14-6-3-5-13(11-14)26-10-4-9-18(26)28)22-25-21(30)19-15-7-1-2-8-16(15)20(29)24-23-19/h1-3,5-8,11H,4,9-10,12H2,(H,22,27)(H,24,29)(H,25,30)
InChIKeyWZGCWVOLFPASBC-UHFFFAOYSA-N
MW421.41 g/mol
LogP0.89
Rot. Bonds5

About 4-oxo-N'-[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]-3H-phthalazine-1-carbohydrazide

4-oxo-N'-[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]-3H-phthalazine-1-carbohydrazide (PubChem CID 24514501) has the molecular formula C21H19N5O5 and a molecular weight of 421.41 g/mol. Its IUPAC name is 4-oxo-N'-[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]-3H-phthalazine-1-carbohydrazide.

Molecular Properties

Compound Name4-oxo-N'-[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]-3H-phthalazine-1-carbohydrazide
PubChem CID24514501
Molecular FormulaC21H19N5O5
Molecular Weight421.41 g/mol
Exact Mass421.14
IUPAC Name4-oxo-N'-[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]-3H-phthalazine-1-carbohydrazide
SMILESO=C(COc1cccc(N2CCCC2=O)c1)NNC(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C21H19N5O5/c27-17(12-31-14-6-3-5-13(11-14)26-10-4-9-18(26)28)22-25-21(30)19-15-7-1-2-8-16(15)20(29)24-23-19/h1-3,5-8,11H,4,9-10,12H2,(H,22,27)(H,24,29)(H,25,30)
InChIKeyWZGCWVOLFPASBC-UHFFFAOYSA-N
XLogP0.89
TPSA133.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.41
LogP ≤ 50.89
H-Bond Donors ≤ 53
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'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide
CID 7907326
N-(2-hydroxyethyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 78823345
N-(2,2-dimethyl-1-phenylpropyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 78864739
N-[(3-methylphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 38294113
N-cyclooctyl-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 18106196
N-[(4-acetamidophenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 18154204
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide
CID 9076396
N-(3-aminobutyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 119496961
2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(1-phenylpiperidin-4-yl)acetamide
CID 86828694
2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-[(4-propoxyphenyl)methyl]acetamide
CID 87005089
2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide
CID 78889287
2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)acetamide
CID 47014571

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N'-[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]-3H-phthalazine-1-carbohydrazide?
The IUPAC name of 4-oxo-N'-[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]-3H-phthalazine-1-carbohydrazide (CID 24514501) is 4-oxo-N'-[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]-3H-phthalazine-1-carbohydrazide.
What is the SMILES notation for 4-oxo-N'-[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]-3H-phthalazine-1-carbohydrazide?
The canonical SMILES for 4-oxo-N'-[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]-3H-phthalazine-1-carbohydrazide is O=C(COc1cccc(N2CCCC2=O)c1)NNC(=O)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of 4-oxo-N'-[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]-3H-phthalazine-1-carbohydrazide?
The InChIKey is WZGCWVOLFPASBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O5/c27-17(12-31-14-6-3-5-13(11-14)26-10-4-9-18(26)28)22-25-21(30)19-15-7-1-2-8-16(15)20(29)24-23-19/h1-3,5-8,11H,4,9-10,12H2,(H,22,27)(H,24,29)(H,25,30).
What are the key properties of 4-oxo-N'-[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]-3H-phthalazine-1-carbohydrazide?
4-oxo-N'-[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]-3H-phthalazine-1-carbohydrazide has a molecular weight of 421.41 g/mol, XLogP of 0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N'-[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]-3H-phthalazine-1-carbohydrazide is sourced from PubChem (CID 24514501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).