N-[4-(1-naphthylamino)quinazolin-6-yl]prop-2-enamide

CovInDB Inhibitor

CI004828

Name

N-[4-(1-naphthylamino)quinazolin-6-yl]prop-2-enamide

Molecular Formula

C₂₁H₁₆N₄O

Molecular Weight

340.13 g/mol

Structure

  Warhead   Similar Compounds

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SDF 2D SDF 3D

IUPAC Name

N-[4-(1-naphthylamino)quinazolin-6-yl]prop-2-enamide

InChI

InChI=1S/C21H16N4O/c1-2-20(26)24-15-10-11-18-17(12-15)21(23-13-22-18)25-19-9-5-7-14-6-3-4-8-16(14)19/h2-13H,1H2,(H,24,26)(H,22,23,25)

InChI Key

KQICINWXQDDNKT-UHFFFAOYSA-N

Canonical SMILES

C=CC(=O)Nc1ccc2ncnc(Nc3cccc4ccccc34)c2c1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

340.13 g/mol

Computed by RDKit

logP

3.81

Computed by ALOGPS

logS

-4.97

Computed by ALOGPS

Heavy Atom Count

26

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

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.