SDF/Mol File of Acetamide, N-(2-methyl-4-quinolinyl)- (C12H12N2O)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying Acetamide, N-(2-methyl-4-quinolinyl)- Molecule

• Chemical structure of Acetamide, N-(2-methyl-4-quinolinyl)-

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of Acetamide, N-(2-methyl-4-quinolinyl)- is available in chemical structure page of Acetamide, N-(2-methyl-4-quinolinyl)-, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of Acetamide, N-(2-methyl-4-quinolinyl)-

  The molecular weight of Acetamide, N-(2-methyl-4-quinolinyl)- is available in molecular weight page of Acetamide, N-(2-methyl-4-quinolinyl)-, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.

• Chemical formula of Acetamide, N-(2-methyl-4-quinolinyl)-

  The chemical formula of Acetamide, N-(2-methyl-4-quinolinyl)- is given in chemical formula page of Acetamide, N-(2-methyl-4-quinolinyl)-, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• InChI (IUPAC International Chemical Identifier) information of Acetamide, N-(2-methyl-4-quinolinyl)-

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of Acetamide, N-(2-methyl-4-quinolinyl)- is:

  InChI=1S/C12H12N2O/c1-8-7-12(14-9(2)15)10-5-3-4-6-11(10)13-8/h3-7H,1-2H3,(H,13,14,15)

  It can provide a standard way to encode the molecular information of Acetamide, N-(2-methyl-4-quinolinyl)- to facilitate the search for the compound information in databases and on the web.

  The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of Acetamide, N-(2-methyl-4-quinolinyl)- is:

  InChIKey=WOTSJKNNHBHBLP-UHFFFAOYSA-N

  The InChIKey may allow easier web searches for Acetamide, N-(2-methyl-4-quinolinyl)-, but it needs to be linked to the full InChI to get back to the original structure of the Acetamide, N-(2-methyl-4-quinolinyl)- since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of Acetamide, N-(2-methyl-4-quinolinyl)-

  The Acetamide, N-(2-methyl-4-quinolinyl)- compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of Acetamide, N-(2-methyl-4-quinolinyl)- including the registry numbers are listed below, if available:

  • N-(2-Methyl-4-quinolinyl)acetamide #
  • N-(2-methyl-quinolin-4-yl)acetamide
  • Cambridge id 5170552
  • N-(2-Methyl-4-quinolyl)acetamide
  • 52101-48-1
  • Acetamide, N-(2-methyl-4-quinolinyl)-

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Acetamide, N-(2-methyl-4-quinolinyl)- Identification Summary Frequently Asked Questions (FAQs)

What’s the Acetamide, N-(2-methyl-4-quinolinyl)- formula?
C12H12N2O
How many atoms and what elements are included in the Acetamide, N-(2-methyl-4-quinolinyl)- molecule?
27 atom(s) - 12 Hydrogen atom(s), 12 Carbon atom(s), 2 Nitrogen atom(s), and 1 Oxygen atom(s)
How many chemical bonds and what kind of bonds are in the Acetamide, N-(2-methyl-4-quinolinyl)- structure?
28 bond(s) - 16 non-H bond(s), 12 multiple bond(s), 1 rotatable bond(s), 1 double bond(s), 11 aromatic bond(s), 2 six-membered ring(s), 1 ten-membered ring(s), 1 secondary amide(s) (aliphatic), and 1 Pyridine(s)
What’s the Acetamide, N-(2-methyl-4-quinolinyl)-’s molar mass?
200.23648 g/mol
What’s the SMILES structure of Acetamide, N-(2-methyl-4-quinolinyl)-?
CC(=O)Nc1cc(C)nc2ccccc12
What’s the InChI code of Acetamide, N-(2-methyl-4-quinolinyl)-?
InChI=1S/C12H12N2O/c1-8-7-12(14-9(2)15)10-5-3-4-6-11(10)13-8/h3-7H,1-2H3,(H,13,14,15)
What’s the InChIKey format of Acetamide, N-(2-methyl-4-quinolinyl)-?
WOTSJKNNHBHBLP-UHFFFAOYSA-N

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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).