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

CovInDB Inhibitor

CI002165

Name

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

Molecular Formula

C₂₃H₁₈N₄O₂

Molecular Weight

382.14 g/mol

Structure

  Warhead   Similar Compounds

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SDF 2D SDF 3D

IUPAC Name

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

InChI

InChI=1S/C23H18N4O2/c1-2-22(28)26-17-10-13-21-20(14-17)23(25-15-24-21)27-16-8-11-19(12-9-16)29-18-6-4-3-5-7-18/h2-15H,1H2,(H,26,28)(H,24,25,27)

InChI Key

XHVDNUGMYNEUDS-UHFFFAOYSA-N

Canonical SMILES

C=CC(=O)Nc1ccc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2c1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

382.14 g/mol

Computed by RDKit

logP

4.41

Computed by ALOGPS

logS

-5.06

Computed by ALOGPS

Heavy Atom Count

29

Computed by RDKit

Ring Count

4

Computed by RDKit

Hydrogen Bond Acceptor Count

5

Computed by RDKit

Hydrogen Bond Donor Count

2

Computed by RDKit

Rotatable Bond Count

6

Computed by RDKit

Topological Polar Surface Area

76.14 Ų

Computed by RDKit

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No similar natural compounds found for this inhibitor.