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Molecular Weight of 3-(3-methylbutyl)-1-{1-[(pyridin-3-yl)carbonyl]-1,2,3,4-tetrahydroquinolin-7-yl}urea (C21H26N4O2)

Identification of 3-(3-methylbutyl)-1-{1-[(pyridin-3-yl)carbonyl]-1,2,3,4-tetrahydroquinolin-7-yl}urea Chemical Compound

2D chemical structure image of 3-(3-methylbutyl)-1-{1-[(pyridin-3-yl)carbonyl]-1,2,3,4-tetrahydroquinolin-7-yl}urea
Chemical Formula C21H26N4O2
Molecular Weight 366.45674 g/mol
IUPAC Name 3-(3-methylbutyl)-1-{1-[(pyridin-3-yl)carbonyl]-1,2,3,4-tetrahydroquinolin-7-yl}urea
SMILES String CC(C)CCNC(=O)Nc3ccc2CCCN(C(=O)c1cccnc1)c2c3
InChI InChI=1S/C21H26N4O2/c1-15(2)9-11-23-21(27)24-18-8-7-16-6-4-12-25(19(16)13-18)20(26)17-5-3-10-22-14-17/h3,5,7-8,10,13-15H,4,6,9,11-12H2,1-2H3,(H2,23,24,27)
InChIKey WFAXHIWWTNQHPS-UHFFFAOYSA-N

Molecular Weight Description

The 3-(3-methylbutyl)-1-{1-[(pyridin-3-yl)carbonyl]-1,2,3,4-tetrahydroquinolin-7-yl}urea molecule consists of 26 Hydrogen atom(s), 21 Carbon atom(s), 4 Nitrogen atom(s), and 2 Oxygen atom(s) - a total of 53 atom(s). The molecular weight of 3-(3-methylbutyl)-1-{1-[(pyridin-3-yl)carbonyl]-1,2,3,4-tetrahydroquinolin-7-yl}urea is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:

$$ 366.45674 · \frac{g}{mol} $$

The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined by 1 g/mol.

Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. The atomic mass takes into account the isotopic distribution of the element in a given sample.

3D chemical structure image of 3-(3-methylbutyl)-1-{1-[(pyridin-3-yl)carbonyl]-1,2,3,4-tetrahydroquinolin-7-yl}urea
Ball-and-stick model of 3-(3-methylbutyl)-1-{1-[(pyridin-3-yl)carbonyl]-1,2,3,4-tetrahydroquinolin-7-yl}urea

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Additional Information for Identifying 3-(3-methylbutyl)-1-{1-[(pyridin-3-yl)carbonyl]-1,2,3,4-tetrahydroquinolin-7-yl}urea Molecule


  • InChI (IUPAC International Chemical Identifier) information of 3-(3-methylbutyl)-1-{1-[(pyridin-3-yl)carbonyl]-1,2,3,4-tetrahydroquinolin-7-yl}urea

    In addition to the molecular weight information, the structural information of 3-(3-methylbutyl)-1-{1-[(pyridin-3-yl)carbonyl]-1,2,3,4-tetrahydroquinolin-7-yl}urea in a textual expression is available via InChi. The full standard InChI of 3-(3-methylbutyl)-1-{1-[(pyridin-3-yl)carbonyl]-1,2,3,4-tetrahydroquinolin-7-yl}urea is given below:

    InChI=1S/C21H26N4O2/c1-15(2)9-11-23-21(27)24-18-8-7-16-6-4-12-25(19(16)13-18)20(26)17-5-3-10-22-14-17/h3,5,7-8,10,13-15H,4,6,9,11-12H2,1-2H3,(H2,23,24,27)

    It can provide a way to encode the molecular information of 3-(3-methylbutyl)-1-{1-[(pyridin-3-yl)carbonyl]-1,2,3,4-tetrahydroquinolin-7-yl}urea 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 3-(3-methylbutyl)-1-{1-[(pyridin-3-yl)carbonyl]-1,2,3,4-tetrahydroquinolin-7-yl}urea is:

    InChIKey=WFAXHIWWTNQHPS-UHFFFAOYSA-N

    It may allow easier web searches for 3-(3-methylbutyl)-1-{1-[(pyridin-3-yl)carbonyl]-1,2,3,4-tetrahydroquinolin-7-yl}urea. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the 3-(3-methylbutyl)-1-{1-[(pyridin-3-yl)carbonyl]-1,2,3,4-tetrahydroquinolin-7-yl}urea as the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of 3-(3-methylbutyl)-1-{1-[(pyridin-3-yl)carbonyl]-1,2,3,4-tetrahydroquinolin-7-yl}urea

    There may be different names of the 3-(3-methylbutyl)-1-{1-[(pyridin-3-yl)carbonyl]-1,2,3,4-tetrahydroquinolin-7-yl}urea compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:



    None available.


3-(3-methylbutyl)-1-{1-[(pyridin-3-yl)carbonyl]-1,2,3,4-tetrahydroquinolin-7-yl}urea Identification Summary Frequently Asked Questions (FAQs)

What’s the formula of 3-(3-methylbutyl)-1-{1-[(pyridin-3-yl)carbonyl]-1,2,3,4-tetrahydroquinolin-7-yl}urea?
C21H26N4O2
How many atoms and what are the elements in the 3-(3-methylbutyl)-1-{1-[(pyridin-3-yl)carbonyl]-1,2,3,4-tetrahydroquinolin-7-yl}urea molecule?
53 atom(s) - 26 Hydrogen atom(s), 21 Carbon atom(s), 4 Nitrogen atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what types of bonds are in the 3-(3-methylbutyl)-1-{1-[(pyridin-3-yl)carbonyl]-1,2,3,4-tetrahydroquinolin-7-yl}urea structure?
55 bond(s) - 29 non-H bond(s), 14 multiple bond(s), 5 rotatable bond(s), 2 double bond(s), 12 aromatic bond(s), 3 six-membered ring(s), 1 ten-membered ring(s), 1 tertiary amide(s) (aromatic), 1 urea (-thio) derivative(s), and 1 Pyridine(s)
What’s the molar mass of 3-(3-methylbutyl)-1-{1-[(pyridin-3-yl)carbonyl]-1,2,3,4-tetrahydroquinolin-7-yl}urea?
366.45674 g/mol
What’s the SMILES format of 3-(3-methylbutyl)-1-{1-[(pyridin-3-yl)carbonyl]-1,2,3,4-tetrahydroquinolin-7-yl}urea?
CC(C)CCNC(=O)Nc3ccc2CCCN(C(=O)c1cccnc1)c2c3
What’s the InChI format of 3-(3-methylbutyl)-1-{1-[(pyridin-3-yl)carbonyl]-1,2,3,4-tetrahydroquinolin-7-yl}urea?
InChI=1S/C21H26N4O2/c1-15(2)9-11-23-21(27)24-18-8-7-16-6-4-12-25(19(16)13-18)20(26)17-5-3-10-22-14-17/h3,5,7-8,10,13-15H,4,6,9,11-12H2,1-2H3,(H2,23,24,27)
What’s the InChIKey string of 3-(3-methylbutyl)-1-{1-[(pyridin-3-yl)carbonyl]-1,2,3,4-tetrahydroquinolin-7-yl}urea?
WFAXHIWWTNQHPS-UHFFFAOYSA-N

27 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).

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