CAS 13790-39-1 | Quinazoline, 4-chloro-6,7-dimethoxy- | CAS Number 13790-39-1

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13790-39-1 | Quinazoline, 4-chloro-6,7-dimethoxy-

CAS No: 13790-39-1 Catalog No: AG00143G MDL No:MFCD01570172

Product Description

Catalog Number:

AG00143G

Chemical Name:

Quinazoline, 4-chloro-6,7-dimethoxy-

CAS Number:

13790-39-1

Molecular Formula:

C10H9ClN2O2

Molecular Weight:

224.6437

MDL Number:

MFCD01570172

IUPAC Name:

4-chloro-6,7-dimethoxyquinazoline

InChI:

InChI=1S/C10H9ClN2O2/c1-14-8-3-6-7(4-9(8)15-2)12-5-13-10(6)11/h3-5H,1-2H3

InChI Key:

LLLHRNQLGUOJHP-UHFFFAOYSA-N

SMILES:

COc1cc2c(Cl)ncnc2cc1OC

Properties

Complexity:

218

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

224.035g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

224.644g/mol

Monoisotopic Mass:

224.035g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

44.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

Literature

Title	Journal
Metabolic stability of 6,7-dialkoxy-4-(2-, 3- and 4-[18F]fluoroanilino)quinazolines, potential EGFR imaging probes.	Bioorganic & medicinal chemistry 20110501
Design, synthesis, and DNA-binding of N-alkyl(anilino)quinazoline derivatives.	Journal of medicinal chemistry 20101125