Structure & Deep Data of Flindersine (C14H13NO2)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Flindersine molecule contains a total of 32 bond(s). There are 19 non-H bond(s), 9 multiple bond(s), 3 double bond(s), 6 aromatic bond(s), 3 six-membered ring(s), 2 ten-membered ring(s), 1 secondary amide(s) (aliphatic), and 1 ether(s) (aliphatic). Images of the chemical structure of Flindersine are given below:

The 2D chemical structure image of Flindersine is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Flindersine 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 Flindersine 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 Flindersine. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Flindersine Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Flindersine

  The SMILES string of Flindersine is CC1(C)Oc2c(C=C1)c(=O)[nH]c3ccccc23, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Flindersine.

• Structure Data File (SDF/MOL File) of Flindersine

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

• Chemical formula of Flindersine

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

• Molecular weight of Flindersine

  The molecular weight of Flindersine is available in molecular weight page of Flindersine, 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 Flindersine

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

  • AR-1E2144
  • 5H-Pyrano(3,2-c)quinolin-5-one, 2,6-dihydro-2,2-dimethyl- (8CI)(9CI)
  • 5h-pyrano[3,2-c]quinolin-5-one,2,6-dihydro-2,2-dimethyl-
  • 2,6-Dihydro-2,2-dimethyl-5H-pyrano[3,2-c]-quinolin-5-one
  • A2196/0092396
  • 5H-Pyrano[3, 2,6-dihydro-2,2-dimethyl-
  • BAS 00513804
  • HMS2303K10
  • HMS1648O08
  • Bio-0608

  • 6A8PD12CKP
  • 2,2-dimethyl-6-hydro-2H-pyrano[5,6-c]quinolin-5-one
  • 2,2-dimethyl-6H-pyrano[3,2-c]quinolin-5-one
  • 2,2-dimethyl-2,6-dihydro-5H-pyrano[3,2-c]quinolin-5-one
  • 2,2-Dimethyl-2,6-dihydro-pyrano[3,2-c]quinolin-5-one
  • 2h-pyrano[3,2-c]quinolin-5-ol, 2,2-dimethyl-
  • 523-64-8
  • Flindersine

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Flindersine Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Flindersine?
C14H13NO2
How many atoms and what are the elements included the Flindersine molecule?
30 atom(s) - 13 Hydrogen atom(s), 14 Carbon atom(s), 1 Nitrogen atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Flindersine structure?
32 bond(s) - 19 non-H bond(s), 9 multiple bond(s), 3 double bond(s), 6 aromatic bond(s), 3 six-membered ring(s), 2 ten-membered ring(s), 1 secondary amide(s) (aliphatic), and 1 ether(s) (aliphatic)
What’s the Flindersine’s molecular weight?
227.25852 g/mol
What’s the SMILES code of Flindersine?
CC1(C)Oc2c(C=C1)c(=O)[nH]c3ccccc23
What’s the InChI string of Flindersine?
InChI=1S/C14H13NO2/c1-14(2)8-7-10-12(17-14)9-5-3-4-6-11(9)15-13(10)16/h3-8H,1-2H3,(H,15,16)
What’s the InChIKey code of Flindersine?
PXNMNABLQWUMCX-UHFFFAOYSA-N

723 The contents of this page can freely be shared if cited as follows:
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).