4-Chloro-6,7-dimethoxyquinazoline - CAS 13790-39-1

Catalog:	BB008669
Product Name:	4-Chloro-6,7-dimethoxyquinazoline
CAS:	13790-39-1
Synonyms:	4-chloro-6,7-dimethoxyquinazoline; 4-chloro-6,7-dimethoxyquinazoline

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Computed Properties

IUPAC Name:	4-chloro-6,7-dimethoxyquinazoline
Description:	A useful synthetic intermediate in the preparation of epidermal growth factors.
Molecular Weight:	224.64
Molecular Formula:	C10H9ClN2O2
Canonical SMILES:	COC1=C(C=C2C(=C1)C(=NC=N2)Cl)OC
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
Boiling Point:	345.5 °C at 760 mmHg
Density:	1.321 g/cm³
Storage:	Keep in dark place, Sealed in dry, Room Temperature
MDL:	MFCD01570172
LogP:	2.30040

Publication Number	Title	Priority Date
CN-113264889-A	Method suitable for industrial production and preparation of gefitinib	20210611
CN-113004210-A	Quinazoline-4-selenium salt compound, preparation method and biological activity	20210329
CN-112209888-A	4-arylmercapto quinazoline compound, preparation method and medical application	20201014
CN-112300141-A	Quinazoline-containing myricetin derivative, and preparation method and application thereof	20201012
US-2021253556-A1	Inhibitors of ectonucleotide pyrophosphatase/phosphodiesterase 1 (enpp1) and methods of use thereof	20200204

PMID	Publication Date	Title	Journal
21478021	20110501	Metabolic stability of 6,7-dialkoxy-4-(2-, 3- and 4-[18F]fluoroanilino)quinazolines, potential EGFR imaging probes	Bioorganic & medicinal chemistry
21033670	20101125	Design, synthesis, and DNA-binding of N-alkyl(anilino)quinazoline derivatives	Journal of medicinal chemistry

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GHS Hazard Statement:	H302 (14.29%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	218
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	224.0352552
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	224.0352552
Rotatable Bond Count:	2
Topological Polar Surface Area:	44.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4