ethyl 6-methoxy-4-(phenyltellanyl)quinoline-2-carboxylate

ID: ALA4634988

PubChem CID: 156014170

Max Phase: Preclinical

Molecular Formula: C19H17NO3Te

Molecular Weight: 434.95

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  CCOC(=O)c1cc([Te]c2ccccc2)c2cc(OC)ccc2n1

Standard InChI:  InChI=1S/C19H17NO3Te/c1-3-23-19(21)17-12-18(24-14-7-5-4-6-8-14)15-11-13(22-2)9-10-16(15)20-17/h4-12H,3H2,1-2H3

Standard InChI Key:  NDZQKYKMNNNOFZ-UHFFFAOYSA-N

Molfile:  

 
     RDKit          2D

 24 26  0  0  0  0  0  0  0  0999 V2000
   15.6738   -2.8643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6727   -3.6838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3807   -4.0928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3789   -2.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0875   -2.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0883   -3.6797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7968   -4.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5051   -3.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5004   -2.8538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7912   -2.4504    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.7985   -4.9039    0.0000 Te  0  0  0  0  0  2  0  0  0  0  0  0
   18.5071   -5.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5054   -6.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2132   -6.5329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9210   -6.1228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9167   -5.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2084   -4.8981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2056   -2.4409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9157   -2.8452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2006   -1.6237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6210   -2.4323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3311   -2.8366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9646   -4.0918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2572   -3.6827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  6  2  0
  5  4  2  0
  4  1  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  7 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
  9 18  1  0
 18 19  1  0
 18 20  2  0
 19 21  1  0
 21 22  1  0
  2 23  1  0
 23 24  1  0
M  END

Alternative Forms

1. Parent:

   

   ALA4634988

   ---

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 434.95

Molecular Weight (Monoisotopic): 437.0271

AlogP: ┄

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HBD (Lipinski): ┄

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: ┄

CX Basic pKa: ┄

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CX LogD: ┄

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QED Weighted: ┄

Np Likeness Score: ┄

References

1. Costa CA, Lopes RM, Ferraz LS, Esteves GNN, Di Iorio JF, Souza AA, de Oliveira IM, Manarin F, Judice WAS, Stefani HA, Rodrigues T..  (2020)  Cytotoxicity of 4-substituted quinoline derivatives: Anticancer and antileishmanial potential.,  28  (11): [PMID:32336669] [10.1016/j.bmc.2020.115511]

Source

Source(1):

• Scientific Literature