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

CovInDB Inhibitor

CI002164

Name

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

Molecular Formula

C₂₄H₂₀N₄O₂

Molecular Weight

396.16 g/mol

Structure

  Warhead   Similar Compounds

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SDF 2D SDF 3D

IUPAC Name

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

InChI

InChI=1S/C24H20N4O2/c1-2-23(29)27-19-10-13-22-21(14-19)24(26-16-25-22)28-18-8-11-20(12-9-18)30-15-17-6-4-3-5-7-17/h2-14,16H,1,15H2,(H,27,29)(H,25,26,28)

InChI Key

YJJIOYPSLPQCAL-UHFFFAOYSA-N

Canonical SMILES

C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

396.16 g/mol

Computed by RDKit

logP

4.37

Computed by ALOGPS

logS

-5.25

Computed by ALOGPS

Heavy Atom Count

30

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

7

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.