N'-[2-(2-chlorophenoxy)acetyl]-2-(4-oxocinnolin-1-yl)acetohydrazide

C18H15ClN4O4 — CID 9085674

IUPACN'-[2-(2-chlorophenoxy)acetyl]-2-(4-oxocinnolin-1-yl)acetohydrazide
SMILESO=C(COc1ccccc1Cl)NNC(=O)Cn1ncc(=O)c2ccccc21
InChIInChI=1S/C18H15ClN4O4/c19-13-6-2-4-8-16(13)27-11-18(26)22-21-17(25)10-23-14-7-3-1-5-12(14)15(24)9-20-23/h1-9H,10-11H2,(H,21,25)(H,22,26)
InChIKeyILZYLBZJWHPVLM-UHFFFAOYSA-N
MW386.80 g/mol
LogP1.28
Rot. Bonds5

About N'-[2-(2-chlorophenoxy)acetyl]-2-(4-oxocinnolin-1-yl)acetohydrazide

N'-[2-(2-chlorophenoxy)acetyl]-2-(4-oxocinnolin-1-yl)acetohydrazide (PubChem CID 9085674) has the molecular formula C18H15ClN4O4 and a molecular weight of 386.80 g/mol. Its IUPAC name is N'-[2-(2-chlorophenoxy)acetyl]-2-(4-oxocinnolin-1-yl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(2-chlorophenoxy)acetyl]-2-(4-oxocinnolin-1-yl)acetohydrazide
PubChem CID9085674
Molecular FormulaC18H15ClN4O4
Molecular Weight386.80 g/mol
Exact Mass386.08
IUPAC NameN'-[2-(2-chlorophenoxy)acetyl]-2-(4-oxocinnolin-1-yl)acetohydrazide
SMILESO=C(COc1ccccc1Cl)NNC(=O)Cn1ncc(=O)c2ccccc21
InChIInChI=1S/C18H15ClN4O4/c19-13-6-2-4-8-16(13)27-11-18(26)22-21-17(25)10-23-14-7-3-1-5-12(14)15(24)9-20-23/h1-9H,10-11H2,(H,21,25)(H,22,26)
InChIKeyILZYLBZJWHPVLM-UHFFFAOYSA-N
XLogP1.28
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.80
LogP ≤ 51.28
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

3,4,5-trimethoxy-N'-[2-(4-oxocinnolin-1-yl)acetyl]benzohydrazide
CID 9084630
2-(4-oxocinnolin-1-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide
CID 55806564
2-(4-oxocinnolin-1-yl)acetic acid
CID 7131158
methyl 2-chloro-5-[[2-(4-oxocinnolin-1-yl)acetyl]amino]benzoate
CID 134003459
2-(4-oxocinnolin-1-yl)acetate
CID 7131157
2-(4-oxocinnolin-1-yl)-N-pyridin-4-ylacetamide
CID 39953740
2,5-dimethyl-N'-[2-(4-oxocinnolin-1-yl)acetyl]furan-3-carbohydrazide
CID 9084933
2-(4-oxocinnolin-1-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 38853339
methyl 2-[4-[[2-(4-oxocinnolin-1-yl)acetyl]amino]phenoxy]acetate
CID 55709062
N-(2-iodophenyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 17466374
2-(2,4-dimethylanilino)-N'-[2-(4-oxocinnolin-1-yl)acetyl]acetohydrazide
CID 9088380
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 9089700

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-chlorophenoxy)acetyl]-2-(4-oxocinnolin-1-yl)acetohydrazide?
The IUPAC name of N'-[2-(2-chlorophenoxy)acetyl]-2-(4-oxocinnolin-1-yl)acetohydrazide (CID 9085674) is N'-[2-(2-chlorophenoxy)acetyl]-2-(4-oxocinnolin-1-yl)acetohydrazide.
What is the SMILES notation for N'-[2-(2-chlorophenoxy)acetyl]-2-(4-oxocinnolin-1-yl)acetohydrazide?
The canonical SMILES for N'-[2-(2-chlorophenoxy)acetyl]-2-(4-oxocinnolin-1-yl)acetohydrazide is O=C(COc1ccccc1Cl)NNC(=O)Cn1ncc(=O)c2ccccc21.
What is the InChIKey of N'-[2-(2-chlorophenoxy)acetyl]-2-(4-oxocinnolin-1-yl)acetohydrazide?
The InChIKey is ILZYLBZJWHPVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O4/c19-13-6-2-4-8-16(13)27-11-18(26)22-21-17(25)10-23-14-7-3-1-5-12(14)15(24)9-20-23/h1-9H,10-11H2,(H,21,25)(H,22,26).
What are the key properties of N'-[2-(2-chlorophenoxy)acetyl]-2-(4-oxocinnolin-1-yl)acetohydrazide?
N'-[2-(2-chlorophenoxy)acetyl]-2-(4-oxocinnolin-1-yl)acetohydrazide has a molecular weight of 386.80 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-chlorophenoxy)acetyl]-2-(4-oxocinnolin-1-yl)acetohydrazide is sourced from PubChem (CID 9085674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).