N-[4-(3-chloroanilino)quinazolin-7-yl]prop-2-enamide

CovInDB Inhibitor

CI002167

Name

N-[4-(3-chloroanilino)quinazolin-7-yl]prop-2-enamide

Molecular Formula

C₁₇H₁₃ClN₄O

Molecular Weight

324.08 g/mol

Structure

  Warhead   Similar Compounds

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SDF 2D SDF 3D

IUPAC Name

N-[4-(3-chloroanilino)quinazolin-7-yl]prop-2-enamide

InChI

InChI=1S/C17H13ClN4O/c1-2-16(23)21-13-6-7-14-15(9-13)19-10-20-17(14)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)

InChI Key

ULYRDVLBRYCXFF-UHFFFAOYSA-N

Canonical SMILES

C=CC(=O)Nc1ccc2c(Nc3cccc(Cl)c3)ncnc2c1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

324.08 g/mol

Computed by RDKit

logP

3.49

Computed by ALOGPS

logS

-4.61

Computed by ALOGPS

Heavy Atom Count

23

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

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No similar natural compounds found for this inhibitor.