Structure & Deep Data of 4-quinoline carbonyl chloride (C10H6ClNO)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 4-quinoline carbonyl chloride molecule contains a total of 20 bond(s). There are 14 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 acyl halogenide(s) (aromatic), and 1 Pyridine(s). Images of the chemical structure of 4-quinoline carbonyl chloride are given below:

The 2D chemical structure image of 4-quinoline carbonyl chloride is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 4-quinoline carbonyl chloride are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of 4-quinoline carbonyl chloride is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of 4-quinoline carbonyl chloride. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying 4-quinoline carbonyl chloride Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of 4-quinoline carbonyl chloride

  The SMILES string of 4-quinoline carbonyl chloride is ClC(=O)c1ccnc2ccccc12, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 4-quinoline carbonyl chloride.

• Structure Data File (SDF/MOL File) of 4-quinoline carbonyl chloride

  The structure data file (SDF/MOL File) of 4-quinoline carbonyl chloride is available for download in the SDF page of 4-quinoline carbonyl chloride, which provides the information about the atoms, bonds, connectivity and coordinates of 4-quinoline carbonyl chloride. The 4-quinoline carbonyl chloride structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of 4-quinoline carbonyl chloride

  The molecular formula of 4-quinoline carbonyl chloride is available in chemical formula page of 4-quinoline carbonyl chloride, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of 4-quinoline carbonyl chloride

  The molecular weight of 4-quinoline carbonyl chloride is available in molecular weight page of 4-quinoline carbonyl chloride, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of 4-quinoline carbonyl chloride

  The 4-quinoline carbonyl chloride compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 4-quinoline carbonyl chloride including the various registry numbers, if available:

  • quinoline4-carbonyl chloride
  • 50821-72-2
  • 4-QUINOLINECARBONYL CHLORIDE
  • 4-quinoline carbonyl chloride

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4-quinoline carbonyl chloride Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 4-quinoline carbonyl chloride?
C10H6ClNO
How many atoms and what are the elements included the 4-quinoline carbonyl chloride molecule?
19 atom(s) - 6 Hydrogen atom(s), 10 Carbon atom(s), 1 Nitrogen atom(s), 1 Oxygen atom(s), and 1 Chlorine atom(s)
How many chemical bonds and what kind of bonds are included the 4-quinoline carbonyl chloride structure?
20 bond(s) - 14 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 acyl halogenide(s) (aromatic), and 1 Pyridine(s)
What’s the 4-quinoline carbonyl chloride’s molecular weight?
191.61374 g/mol
What’s the SMILES code of 4-quinoline carbonyl chloride?
ClC(=O)c1ccnc2ccccc12
What’s the InChI string of 4-quinoline carbonyl chloride?
InChI=1S/C10H6ClNO/c11-10(13)8-5-6-12-9-4-2-1-3-7(8)9/h1-6H
What’s the InChIKey code of 4-quinoline carbonyl chloride?
OTENSAQNLUSKHN-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).