2-(4-oxocinnolin-1-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide

C24H21N3O3 — CID 55806564

IUPAC2-(4-oxocinnolin-1-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide
SMILESO=C(Cn1ncc(=O)c2ccccc21)NCc1ccccc1OCc1ccccc1
InChIInChI=1S/C24H21N3O3/c28-22-15-26-27(21-12-6-5-11-20(21)22)16-24(29)25-14-19-10-4-7-13-23(19)30-17-18-8-2-1-3-9-18/h1-13,15H,14,16-17H2,(H,25,29)
InChIKeyHDIUAWFQMBLLSC-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.29
Rot. Bonds7

About 2-(4-oxocinnolin-1-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide

2-(4-oxocinnolin-1-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide (PubChem CID 55806564) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-(4-oxocinnolin-1-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-oxocinnolin-1-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide
PubChem CID55806564
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name2-(4-oxocinnolin-1-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide
SMILESO=C(Cn1ncc(=O)c2ccccc21)NCc1ccccc1OCc1ccccc1
InChIInChI=1S/C24H21N3O3/c28-22-15-26-27(21-12-6-5-11-20(21)22)16-24(29)25-14-19-10-4-7-13-23(19)30-17-18-8-2-1-3-9-18/h1-13,15H,14,16-17H2,(H,25,29)
InChIKeyHDIUAWFQMBLLSC-UHFFFAOYSA-N
XLogP3.29
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-oxocinnolin-1-yl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide
CID 55493309
2-(4-oxocinnolin-1-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 55902525
N'-[2-(2-chlorophenoxy)acetyl]-2-(4-oxocinnolin-1-yl)acetohydrazide
CID 9085674
2-(4-oxocinnolin-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 134049978
2-(4-oxocinnolin-1-yl)acetate
CID 7131157
3,4,5-trimethoxy-N'-[2-(4-oxocinnolin-1-yl)acetyl]benzohydrazide
CID 9084630
N'-[2-(4-tert-butylphenoxy)acetyl]-2-(4-oxocinnolin-1-yl)acetohydrazide
CID 25485810
2-(4-oxocinnolin-1-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 55415378
4-methyl-N-[3-[[[2-(4-oxocinnolin-1-yl)acetyl]amino]methyl]phenyl]benzamide
CID 52702471
2-(4-oxocinnolin-1-yl)-N-pyridin-4-ylacetamide
CID 39953740
N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 55945386
N-(2-iodophenyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 17466374

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxocinnolin-1-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(4-oxocinnolin-1-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide (CID 55806564) is 2-(4-oxocinnolin-1-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-oxocinnolin-1-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-oxocinnolin-1-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide is O=C(Cn1ncc(=O)c2ccccc21)NCc1ccccc1OCc1ccccc1.
What is the InChIKey of 2-(4-oxocinnolin-1-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide?
The InChIKey is HDIUAWFQMBLLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c28-22-15-26-27(21-12-6-5-11-20(21)22)16-24(29)25-14-19-10-4-7-13-23(19)30-17-18-8-2-1-3-9-18/h1-13,15H,14,16-17H2,(H,25,29).
What are the key properties of 2-(4-oxocinnolin-1-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide?
2-(4-oxocinnolin-1-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide has a molecular weight of 399.45 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxocinnolin-1-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 55806564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).