2-(4-oxocinnolin-1-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide

C23H20N4O3 — CID 55902525

IUPAC2-(4-oxocinnolin-1-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
SMILESO=C(Cn1ncc(=O)c2ccccc21)NCc1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C23H20N4O3/c28-22-14-26-27(21-7-2-1-6-20(21)22)15-23(29)25-13-17-8-10-19(11-9-17)30-16-18-5-3-4-12-24-18/h1-12,14H,13,15-16H2,(H,25,29)
InChIKeyHCTQUDZDJABLSU-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.69
Rot. Bonds7

About 2-(4-oxocinnolin-1-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide

2-(4-oxocinnolin-1-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide (PubChem CID 55902525) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 2-(4-oxocinnolin-1-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-oxocinnolin-1-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
PubChem CID55902525
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name2-(4-oxocinnolin-1-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
SMILESO=C(Cn1ncc(=O)c2ccccc21)NCc1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C23H20N4O3/c28-22-14-26-27(21-7-2-1-6-20(21)22)15-23(29)25-13-17-8-10-19(11-9-17)30-16-18-5-3-4-12-24-18/h1-12,14H,13,15-16H2,(H,25,29)
InChIKeyHCTQUDZDJABLSU-UHFFFAOYSA-N
XLogP2.69
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-oxocinnolin-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 134049978
2-(4-oxocinnolin-1-yl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide
CID 55493309
2-(4-oxocinnolin-1-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide
CID 55806564
N'-[2-(4-tert-butylphenoxy)acetyl]-2-(4-oxocinnolin-1-yl)acetohydrazide
CID 25485810
2-naphthalen-1-yl-N-[2-oxo-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]ethyl]acetamide
CID 56798152
1,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrazole-4-carboxamide
CID 87047264
methyl 2-[4-[[2-(4-oxocinnolin-1-yl)acetyl]amino]phenoxy]acetate
CID 55709062
2-(4-oxocinnolin-1-yl)acetic acid
CID 7131158
2-(4-oxocinnolin-1-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 55415378
2-(4-oxocinnolin-1-yl)-N-pyridin-4-ylacetamide
CID 39953740
2-(4-methyl-1-oxophthalazin-2-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 55712318
N'-[2-(2-chlorophenoxy)acetyl]-2-(4-oxocinnolin-1-yl)acetohydrazide
CID 9085674

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxocinnolin-1-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-oxocinnolin-1-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide (CID 55902525) is 2-(4-oxocinnolin-1-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-oxocinnolin-1-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-oxocinnolin-1-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide is O=C(Cn1ncc(=O)c2ccccc21)NCc1ccc(OCc2ccccn2)cc1.
What is the InChIKey of 2-(4-oxocinnolin-1-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide?
The InChIKey is HCTQUDZDJABLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c28-22-14-26-27(21-7-2-1-6-20(21)22)15-23(29)25-13-17-8-10-19(11-9-17)30-16-18-5-3-4-12-24-18/h1-12,14H,13,15-16H2,(H,25,29).
What are the key properties of 2-(4-oxocinnolin-1-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide?
2-(4-oxocinnolin-1-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide has a molecular weight of 400.44 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxocinnolin-1-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 55902525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).