N-methoxy-N-methyl-2-(4-oxocinnolin-1-yl)acetamide

C12H13N3O3 — CID 47118864

IUPACN-methoxy-N-methyl-2-(4-oxocinnolin-1-yl)acetamide
SMILESCON(C)C(=O)Cn1ncc(=O)c2ccccc21
InChIInChI=1S/C12H13N3O3/c1-14(18-2)12(17)8-15-10-6-4-3-5-9(10)11(16)7-13-15/h3-7H,8H2,1-2H3
InChIKeyJXAZWCIYRRUWEQ-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.42
Rot. Bonds3

About N-methoxy-N-methyl-2-(4-oxocinnolin-1-yl)acetamide

N-methoxy-N-methyl-2-(4-oxocinnolin-1-yl)acetamide (PubChem CID 47118864) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is N-methoxy-N-methyl-2-(4-oxocinnolin-1-yl)acetamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-2-(4-oxocinnolin-1-yl)acetamide
PubChem CID47118864
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC NameN-methoxy-N-methyl-2-(4-oxocinnolin-1-yl)acetamide
SMILESCON(C)C(=O)Cn1ncc(=O)c2ccccc21
InChIInChI=1S/C12H13N3O3/c1-14(18-2)12(17)8-15-10-6-4-3-5-9(10)11(16)7-13-15/h3-7H,8H2,1-2H3
InChIKeyJXAZWCIYRRUWEQ-UHFFFAOYSA-N
XLogP0.42
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-2-(4-oxocinnolin-1-yl)acetamide?
The IUPAC name of N-methoxy-N-methyl-2-(4-oxocinnolin-1-yl)acetamide (CID 47118864) is N-methoxy-N-methyl-2-(4-oxocinnolin-1-yl)acetamide.
What is the SMILES notation for N-methoxy-N-methyl-2-(4-oxocinnolin-1-yl)acetamide?
The canonical SMILES for N-methoxy-N-methyl-2-(4-oxocinnolin-1-yl)acetamide is CON(C)C(=O)Cn1ncc(=O)c2ccccc21.
What is the InChIKey of N-methoxy-N-methyl-2-(4-oxocinnolin-1-yl)acetamide?
The InChIKey is JXAZWCIYRRUWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-14(18-2)12(17)8-15-10-6-4-3-5-9(10)11(16)7-13-15/h3-7H,8H2,1-2H3.
What are the key properties of N-methoxy-N-methyl-2-(4-oxocinnolin-1-yl)acetamide?
N-methoxy-N-methyl-2-(4-oxocinnolin-1-yl)acetamide has a molecular weight of 247.25 g/mol, XLogP of 0.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-2-(4-oxocinnolin-1-yl)acetamide is sourced from PubChem (CID 47118864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).