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

C20H21N3O3 — CID 134049978

IUPAC2-(4-oxocinnolin-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
SMILESCC(C)Oc1ccc(CNC(=O)Cn2ncc(=O)c3ccccc32)cc1
InChIInChI=1S/C20H21N3O3/c1-14(2)26-16-9-7-15(8-10-16)11-21-20(25)13-23-18-6-4-3-5-17(18)19(24)12-22-23/h3-10,12,14H,11,13H2,1-2H3,(H,21,25)
InChIKeyFTBWHECHKFOURP-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.50
Rot. Bonds6

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

2-(4-oxocinnolin-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide (PubChem CID 134049978) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-(4-oxocinnolin-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-oxocinnolin-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
PubChem CID134049978
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-(4-oxocinnolin-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
SMILESCC(C)Oc1ccc(CNC(=O)Cn2ncc(=O)c3ccccc32)cc1
InChIInChI=1S/C20H21N3O3/c1-14(2)26-16-9-7-15(8-10-16)11-21-20(25)13-23-18-6-4-3-5-17(18)19(24)12-22-23/h3-10,12,14H,11,13H2,1-2H3,(H,21,25)
InChIKeyFTBWHECHKFOURP-UHFFFAOYSA-N
XLogP2.50
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-oxocinnolin-1-yl)-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 55902525
2-(4-oxocinnolin-1-yl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide
CID 55493309
2-(4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 20953505
N-(4-hydroxy-2,2-dimethylpentyl)-2-(4-oxocinnolin-1-yl)acetamide
CID 111480501
2-(4-oxocinnolin-1-yl)-N-[(2-phenylmethoxyphenyl)methyl]acetamide
CID 55806564
2-(4-oxocinnolin-1-yl)acetic acid
CID 7131158
N-heptan-2-yl-2-(4-oxocinnolin-1-yl)acetamide
CID 78672212
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
3-(4-oxocinnolin-1-yl)-N-propan-2-ylpropanamide
CID 47123641
2-(3-bromophenoxy)-N'-[2-(4-oxocinnolin-1-yl)acetyl]propanehydrazide
CID 55428094
4-methyl-N-[3-[[[2-(4-oxocinnolin-1-yl)acetyl]amino]methyl]phenyl]benzamide
CID 52702471

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxocinnolin-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The IUPAC name of 2-(4-oxocinnolin-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide (CID 134049978) is 2-(4-oxocinnolin-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-oxocinnolin-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-oxocinnolin-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide is CC(C)Oc1ccc(CNC(=O)Cn2ncc(=O)c3ccccc32)cc1.
What is the InChIKey of 2-(4-oxocinnolin-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The InChIKey is FTBWHECHKFOURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14(2)26-16-9-7-15(8-10-16)11-21-20(25)13-23-18-6-4-3-5-17(18)19(24)12-22-23/h3-10,12,14H,11,13H2,1-2H3,(H,21,25).
What are the key properties of 2-(4-oxocinnolin-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
2-(4-oxocinnolin-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide has a molecular weight of 351.41 g/mol, XLogP of 2.50, 6 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-[(4-propan-2-yloxyphenyl)methyl]acetamide is sourced from PubChem (CID 134049978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).