N-(2,5-dimethyloxolan-3-yl)-2-(4-oxocinnolin-1-yl)acetamide

C16H19N3O3 — CID 166249151

IUPACN-(2,5-dimethyloxolan-3-yl)-2-(4-oxocinnolin-1-yl)acetamide
SMILESCC1CC(NC(=O)Cn2ncc(=O)c3ccccc32)C(C)O1
InChIInChI=1S/C16H19N3O3/c1-10-7-13(11(2)22-10)18-16(21)9-19-14-6-4-3-5-12(14)15(20)8-17-19/h3-6,8,10-11,13H,7,9H2,1-2H3,(H,18,21)
InChIKeyKWNPBIKMASFFLC-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.08
Rot. Bonds3

About N-(2,5-dimethyloxolan-3-yl)-2-(4-oxocinnolin-1-yl)acetamide

N-(2,5-dimethyloxolan-3-yl)-2-(4-oxocinnolin-1-yl)acetamide (PubChem CID 166249151) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(2,5-dimethyloxolan-3-yl)-2-(4-oxocinnolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethyloxolan-3-yl)-2-(4-oxocinnolin-1-yl)acetamide
PubChem CID166249151
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-(2,5-dimethyloxolan-3-yl)-2-(4-oxocinnolin-1-yl)acetamide
SMILESCC1CC(NC(=O)Cn2ncc(=O)c3ccccc32)C(C)O1
InChIInChI=1S/C16H19N3O3/c1-10-7-13(11(2)22-10)18-16(21)9-19-14-6-4-3-5-12(14)15(20)8-17-19/h3-6,8,10-11,13H,7,9H2,1-2H3,(H,18,21)
InChIKeyKWNPBIKMASFFLC-UHFFFAOYSA-N
XLogP1.08
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethyloxolan-3-yl)-2-(4-oxocinnolin-1-yl)acetamide?
The IUPAC name of N-(2,5-dimethyloxolan-3-yl)-2-(4-oxocinnolin-1-yl)acetamide (CID 166249151) is N-(2,5-dimethyloxolan-3-yl)-2-(4-oxocinnolin-1-yl)acetamide.
What is the SMILES notation for N-(2,5-dimethyloxolan-3-yl)-2-(4-oxocinnolin-1-yl)acetamide?
The canonical SMILES for N-(2,5-dimethyloxolan-3-yl)-2-(4-oxocinnolin-1-yl)acetamide is CC1CC(NC(=O)Cn2ncc(=O)c3ccccc32)C(C)O1.
What is the InChIKey of N-(2,5-dimethyloxolan-3-yl)-2-(4-oxocinnolin-1-yl)acetamide?
The InChIKey is KWNPBIKMASFFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10-7-13(11(2)22-10)18-16(21)9-19-14-6-4-3-5-12(14)15(20)8-17-19/h3-6,8,10-11,13H,7,9H2,1-2H3,(H,18,21).
What are the key properties of N-(2,5-dimethyloxolan-3-yl)-2-(4-oxocinnolin-1-yl)acetamide?
N-(2,5-dimethyloxolan-3-yl)-2-(4-oxocinnolin-1-yl)acetamide has a molecular weight of 301.35 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethyloxolan-3-yl)-2-(4-oxocinnolin-1-yl)acetamide is sourced from PubChem (CID 166249151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).