5,7-Difluoroquinazolin-4(3H)-one - CAS 379228-58-7

Catalog:	BB023469
Product Name:	5,7-Difluoroquinazolin-4(3H)-one
CAS:	379228-58-7
Synonyms:	5,7-difluoro-3H-quinazolin-4-one; 5,7-difluoro-3H-quinazolin-4-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5,7-difluoro-3H-quinazolin-4-one
Description:	5,7-Difluoro-4(3H)-quinazolinone was used in process development and scale-up of efficient route for manuf. of SRC kinase inhibitor AZD0530.
Molecular Weight:	182.13
Molecular Formula:	C8H4F2N2O
Canonical SMILES:	C1=C(C=C2C(=C1F)C(=O)NC=N2)F
InChI:	InChI=1S/C8H4F2N2O/c9-4-1-5(10)7-6(2-4)11-3-12-8(7)13/h1-3H,(H,11,12,13)
InChI Key:	DIQRRDUOMDYXDK-UHFFFAOYSA-N
Boiling Point:	297.336 °C at 760 mmHg
Density:	1.55 g/cm³
MDL:	MFCD11100783
LogP:	1.20130

Publication Number	Title	Priority Date
WO-2019143678-A1	Dna-pk inhibitors	20180117
AU-2019209293-A1	DNA-PK inhibitors	20180117
CN-111757876-A	DNA-PK inhibitors	20180117
EP-3740480-A1	Dna-pk inhibitors	20180117
IL-276080-D0	DNA-pk suppressant compounds, preparations containing otp and their uses	20180117

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Related Functional Groups

Quinazolines

[199114-62-0]
2-(Chloromethyl)-3-methylquinazolin-4(3H)-one
[20028-72-2]
2-Amino-6-fluoroquinazoline
[19062-39-6]
4(3H)-Quinazolinone, 3-amino-2-hydrazino-
[119-24-4]
Folic Acid EP Impurity D (Methotrexate EP Impurity D)
[21599-37-1]
2-Amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
[1172851-61-4]
4-Chloro-6-iodo-7-methoxyquinazoline

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	257
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	182.02916908
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	182.02916908
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9