SDF/Mol File of N-[(3-bromocyclopentyl)methyl]quinoline-5-carboxamide (C16H17BrN2O)
Identification of N-[(3-bromocyclopentyl)methyl]quinoline-5-carboxamide Chemical Compound
![2D chemical structure image of N-[(3-bromocyclopentyl)methyl]quinoline-5-carboxamide](http://static.molinstincts.com/compound_common/N-3-bromocyclopentyl-methyl-quinoline-5-carboxamide-2D-structure-CT1057165085.png)
| Chemical Formula | C16H17BrN2O |
|---|---|
| Molecular Weight | 333.22298 g/mol |
| IUPAC Name | N-[(3-bromocyclopentyl)methyl]quinoline-5-carboxamide |
| SMILES String | BrC3CCC(CNC(=O)c1cccc2ncccc12)C3 |
| InChI | InChI=1S/C16H17BrN2O/c17-12-7-6-11(9-12)10-19-16(20)14-3-1-5-15-13(14)4-2-8-18-15/h1-5,8,11-12H,6-7,9-10H2,(H,19,20) |
| InChIKey | JPWAYYFDNWFQJH-UHFFFAOYSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of N-[(3-bromocyclopentyl)methyl]quinoline-5-carboxamide is available for download. Click the link below to start downloading.
Download structure data file (SDF/MOL File)
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of N-[(3-bromocyclopentyl)methyl]quinoline-5-carboxamide molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.
The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.
![3D chemical structure image of N-[(3-bromocyclopentyl)methyl]quinoline-5-carboxamide](http://static.molinstincts.com/compound_3d/N-3-bromocyclopentyl-methyl-quinoline-5-carboxamide-3D-structure-CT1057165085.png)
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying N-[(3-bromocyclopentyl)methyl]quinoline-5-carboxamide Molecule
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Chemical structure of N-[(3-bromocyclopentyl)methyl]quinoline-5-carboxamide
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of N-[(3-bromocyclopentyl)methyl]quinoline-5-carboxamide is available in chemical structure page of N-[(3-bromocyclopentyl)methyl]quinoline-5-carboxamide, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
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Molecular weight of N-[(3-bromocyclopentyl)methyl]quinoline-5-carboxamide
The molecular weight of N-[(3-bromocyclopentyl)methyl]quinoline-5-carboxamide is available in molecular weight page of N-[(3-bromocyclopentyl)methyl]quinoline-5-carboxamide, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of N-[(3-bromocyclopentyl)methyl]quinoline-5-carboxamide
The chemical formula of N-[(3-bromocyclopentyl)methyl]quinoline-5-carboxamide is given in chemical formula page of N-[(3-bromocyclopentyl)methyl]quinoline-5-carboxamide, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of N-[(3-bromocyclopentyl)methyl]quinoline-5-carboxamide
An alternative way of expressing structural information in text format is InChI. The full standard InChI of N-[(3-bromocyclopentyl)methyl]quinoline-5-carboxamide is:
InChI=1S/C16H17BrN2O/c17-12-7-6-11(9-12)10-19-16(20)14-3-1-5-15-13(14)4-2-8-18-15/h1-5,8,11-12H,6-7,9-10H2,(H,19,20)
It can provide a standard way to encode the molecular information of N-[(3-bromocyclopentyl)methyl]quinoline-5-carboxamide 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 N-[(3-bromocyclopentyl)methyl]quinoline-5-carboxamide is:
InChIKey=JPWAYYFDNWFQJH-UHFFFAOYSA-N
The InChIKey may allow easier web searches for N-[(3-bromocyclopentyl)methyl]quinoline-5-carboxamide, but it needs to be linked to the full InChI to get back to the original structure of the N-[(3-bromocyclopentyl)methyl]quinoline-5-carboxamide since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of N-[(3-bromocyclopentyl)methyl]quinoline-5-carboxamide
The N-[(3-bromocyclopentyl)methyl]quinoline-5-carboxamide compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of N-[(3-bromocyclopentyl)methyl]quinoline-5-carboxamide including the registry numbers are listed below, if available:
None available.
N-[(3-bromocyclopentyl)methyl]quinoline-5-carboxamide Identification Summary Frequently Asked Questions (FAQs)
| What’s the N-[(3-bromocyclopentyl)methyl]quinoline-5-carboxamide formula? |
|---|
| C16H17BrN2O |
| How many atoms and what elements are included in the N-[(3-bromocyclopentyl)methyl]quinoline-5-carboxamide molecule? |
| 37 atom(s) - 17 Hydrogen atom(s), 16 Carbon atom(s), 2 Nitrogen atom(s), 1 Oxygen atom(s), and 1 Bromine atom(s) |
| How many chemical bonds and what kind of bonds are in the N-[(3-bromocyclopentyl)methyl]quinoline-5-carboxamide structure? |
| 39 bond(s) - 22 non-H bond(s), 12 multiple bond(s), 3 rotatable bond(s), 1 double bond(s), 11 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 1 ten-membered ring(s), 1 secondary amide(s) (aromatic), and 1 Pyridine(s) |
| What’s the N-[(3-bromocyclopentyl)methyl]quinoline-5-carboxamide’s molar mass? |
| 333.22298 g/mol |
| What’s the SMILES structure of N-[(3-bromocyclopentyl)methyl]quinoline-5-carboxamide? |
| BrC3CCC(CNC(=O)c1cccc2ncccc12)C3 |
| What’s the InChI code of N-[(3-bromocyclopentyl)methyl]quinoline-5-carboxamide? |
| InChI=1S/C16H17BrN2O/c17-12-7-6-11(9-12)10-19-16(20)14-3-1-5-15-13(14)4-2-8-18-15/h1-5,8,11-12H,6-7,9-10H2,(H,19,20) |
| What’s the InChIKey format of N-[(3-bromocyclopentyl)methyl]quinoline-5-carboxamide? |
| JPWAYYFDNWFQJH-UHFFFAOYSA-N |
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commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).