N-[4-[3-(trifluoromethyl)anilino]quinazolin-6-yl]prop-2-enamide

CovInDB Inhibitor

CI002163

Name

N-[4-[3-(trifluoromethyl)anilino]quinazolin-6-yl]prop-2-enamide

Molecular Formula

C₁₈H₁₃F₃N₄O

Molecular Weight

358.1 g/mol

Structure

  Warhead   Similar Compounds

  Download

SDF 2D SDF 3D

IUPAC Name

N-[4-[3-(trifluoromethyl)anilino]quinazolin-6-yl]prop-2-enamide

InChI

InChI=1S/C18H13F3N4O/c1-2-16(26)24-13-6-7-15-14(9-13)17(23-10-22-15)25-12-5-3-4-11(8-12)18(19,20)21/h2-10H,1H2,(H,24,26)(H,22,23,25)

InChI Key

LSYGGBSRDNYACG-UHFFFAOYSA-N

Canonical SMILES

C=CC(=O)Nc1ccc2ncnc(Nc3cccc(C(F)(F)F)c3)c2c1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

358.1 g/mol

Computed by RDKit

logP

3.77

Computed by ALOGPS

logS

-4.85

Computed by ALOGPS

Heavy Atom Count

26

Computed by RDKit

Ring Count

3

Computed by RDKit

Hydrogen Bond Acceptor Count

4

Computed by RDKit

Hydrogen Bond Donor Count

2

Computed by RDKit

Rotatable Bond Count

4

Computed by RDKit

Topological Polar Surface Area

66.91 Ų

Computed by RDKit

  Download

No similar natural compounds found for this inhibitor.