CAS 5190-68-1 | 4-Chloroquinazoline | CAS Number 5190-68-1

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5190-68-1 | 4-Chloroquinazoline

CAS No: 5190-68-1 Catalog No: AG003L8G MDL No:MFCD00228682

Product Description

Catalog Number:

AG003L8G

Chemical Name:

4-Chloroquinazoline

CAS Number:

5190-68-1

Molecular Formula:

C8H5ClN2

Molecular Weight:

164.5917

MDL Number:

MFCD00228682

IUPAC Name:

4-chloroquinazoline

InChI:

InChI=1S/C8H5ClN2/c9-8-6-3-1-2-4-7(6)10-5-11-8/h1-5H

InChI Key:

GVRRXASZZAKBMN-UHFFFAOYSA-N

SMILES:

Clc1ncnc2c1cccc2

NSC Number:

53480

Properties

Complexity:

140

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

164.014g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

164.592g/mol

Monoisotopic Mass:

164.014g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

25.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9

Literature

Title	Journal
Design, synthesis, and pharmacological evaluation of N-acylhydrazones and novel conformationally constrained compounds as selective and potent orally active phosphodiesterase-4 inhibitors.	Journal of medicinal chemistry 20120913
Imaging of EGFR and EGFR tyrosine kinase overexpression in tumors by nuclear medicine modalities.	Current pharmaceutical design 20081001
Microwave assisted synthesis of N-arylheterocyclic substituted-4-aminoquinazoline derivatives.	Molecules (Basel, Switzerland) 20060410