N-[4-(4-phenylanilino)quinazolin-6-yl]prop-2-enamide

CovInDB Inhibitor

CI004832

Name

N-[4-(4-phenylanilino)quinazolin-6-yl]prop-2-enamide

Molecular Formula

C₂₃H₁₈N₄O

Molecular Weight

366.15 g/mol

Structure

  Warhead   Similar Compounds

  Download

SDF 2D SDF 3D

IUPAC Name

N-[4-(4-phenylanilino)quinazolin-6-yl]prop-2-enamide

InChI

InChI=1S/C23H18N4O/c1-2-22(28)26-19-12-13-21-20(14-19)23(25-15-24-21)27-18-10-8-17(9-11-18)16-6-4-3-5-7-16/h2-15H,1H2,(H,26,28)(H,24,25,27)

InChI Key

YIBHNWMURVCPKH-UHFFFAOYSA-N

Canonical SMILES

C=CC(=O)Nc1ccc2ncnc(Nc3ccc(-c4ccccc4)cc3)c2c1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

366.15 g/mol

Computed by RDKit

logP

4.24

Computed by ALOGPS

logS

-5.18

Computed by ALOGPS

Heavy Atom Count

28

Computed by RDKit

Ring Count

4

Computed by RDKit

Hydrogen Bond Acceptor Count

4

Computed by RDKit

Hydrogen Bond Donor Count

2

Computed by RDKit

Rotatable Bond Count

5

Computed by RDKit

Topological Polar Surface Area

66.91 Ų

Computed by RDKit

  Download

No similar natural compounds found for this inhibitor.