4,7-dichloroquinazoline - CAS 2148-57-4

Catalog:	BB016908
Product Name:	4,7-dichloroquinazoline
CAS:	2148-57-4
Synonyms:	4,7-dichloroquinazoline; 4,7-dichloroquinazoline

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4,7-dichloroquinazoline
Description:	4,7-dichloroquinazoline (CAS# 2148-57-4) is a useful building block, used in the synthesis of aroylquinazolines via aroylation with aryl aldehydes. 4,7-Dichloroquinazoline has been identified as a dengue virus entry inhibitor.
Molecular Weight:	199.034
Molecular Formula:	C8H4Cl2N2
Canonical SMILES:	C1=CC2=C(C=C1Cl)N=CN=C2Cl
InChI:	InChI=1S/C8H4Cl2N2/c9-5-1-2-6-7(3-5)11-4-12-8(6)10/h1-4H
InChI Key:	FDPHWQSGEWRZOL-UHFFFAOYSA-N
Boiling Point:	317.6 °C at 760 mmHg
Density:	1.486 g/cm³
MDL:	MFCD00023911
LogP:	2.93660

Publication Number	Title	Priority Date
WO-2021023888-A1	Isoquinoline derivatives as protein kinase inhibitors	20190808
WO-2020223715-A1	Substituted (piperidin-1-yl)aryl analogues for modulating avilactivity	20190502
US-2020352942-A1	Dosage forms and regimens for amino acid compounds	20190408
WO-2020210404-A1	Dosage forms and regimens for amino acid compounds	20190408
WO-2020140001-A1	Quinazoline derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors	20181228

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Related Functional Groups

Halides

[859473-05-5]
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[111-85-3]
1-Chlorooctane
[199114-62-0]
2-(Chloromethyl)-3-methylquinazolin-4(3H)-one

Quinazolines

[20028-72-2]
2-Amino-6-fluoroquinazoline
[20197-97-1]
2-Chloro-6-methoxyquinazolin-4(3H)-one
[202475-65-8]
N-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazolin-4-amine
[1172851-61-4]
4-Chloro-6-iodo-7-methoxyquinazoline
[35241-23-7]
6,7-Dimethoxy-2-methylquinazolin-4-ol
[1026727-75-2]
2-amino-7-methyl-3,4-dihydroquinazolin-4-one

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	165
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	197.9751535
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	197.9751535
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1