4-Chloro-6-methoxyquinazoline - CAS 50424-28-7

Catalog:	BB027050
Product Name:	4-Chloro-6-methoxyquinazoline
CAS:	50424-28-7
Synonyms:	4-chloro-6-methoxyquinazoline; 4-chloro-6-methoxyquinazoline

Technical Data

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Computed Properties

IUPAC Name:	4-chloro-6-methoxyquinazoline
Description:	4-Chloro-6-methoxyquinazoline (CAS# 50424-28-7) is a useful research chemical.
Molecular Weight:	194.62
Molecular Formula:	C9H7ClN2O
Canonical SMILES:	COC1=CC2=C(C=C1)N=CN=C2Cl
InChI:	InChI=1S/C9H7ClN2O/c1-13-6-2-3-8-7(4-6)9(10)12-5-11-8/h2-5H,1H3
InChI Key:	MREJJMASIQVOTH-UHFFFAOYSA-N
Boiling Point:	365.653 °C at 760 mmHg
Density:	1.286 g/cm³
MDL:	MFCD06657615
LogP:	2.29180

Publication Number	Title	Priority Date
WO-2021043245-A1	Hydantoin derivative	20190906
WO-2020140001-A1	Quinazoline derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors	20181228
EP-3632908-A1	Inhibitors of the yap/taz-tead interaction and their use in the treatment of cancer	20181002
WO-2020070181-A1	Inhibitors of the yap/taz-tead interaction and their use in the treatment of cancer	20181002
CN-113039182-A	Inhibitors of YAP/TAZ-TEAD interaction and their use in cancer treatment	20181002

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Related Functional Groups

Quinazolines

[19062-39-6]
4(3H)-Quinazolinone, 3-amino-2-hydrazino-
[959236-83-0]
8-(Trifluoromethoxy)quinazoline-2,4(1H,3H)-dione
[177592-08-4]
Ethyl [(3-amino-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate
[21599-37-1]
2-Amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
[20198-18-9]
2-Amino-7-chloro-3H-quinazolin-4-one
[1172851-61-4]
4-Chloro-6-iodo-7-methoxyquinazoline

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	179
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	194.0246905
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	194.0246905
Rotatable Bond Count:	1
Topological Polar Surface Area:	35
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5