4-Chloro-6-nitroquinazoline - CAS 19815-16-8

Catalog:	BB015315
Product Name:	4-Chloro-6-nitroquinazoline
CAS:	19815-16-8
Synonyms:	4-chloro-6-nitroquinazoline; 4-chloro-6-nitroquinazoline

Technical Data

Patents

Computed Properties

IUPAC Name:	4-chloro-6-nitroquinazoline
Description:	Intermediate in the preparation of anticancer agents and enzyme inhibitors.
Molecular Weight:	209.59
Molecular Formula:	C8H4ClN3O2
Canonical SMILES:	C1=CC2=C(C=C1[N+](=O)[O-])C(=NC=N2)Cl
InChI:	InChI=1S/C8H4ClN3O2/c9-8-6-3-5(12(13)14)1-2-7(6)10-4-11-8/h1-4H
InChI Key:	LZOSFEDULGODDH-UHFFFAOYSA-N
Boiling Point:	380 °C at 760 mmHg
Density:	1.566 g/cm³
LogP:	2.71460

Publication Number	Title	Priority Date
CN-113004211-A	Quinazoline-4-selenoether derivative, preparation method and biological activity	20210329
CN-112209875-A	6-amino-4- (4-phenoxyphenethylamino) quinazoline derivative and preparation method and application thereof	20201015
CN-108373452-B	Preparation method of lapatinib key intermediate	20180209
CN-108078993-B	Application of 6-nitroquinazoline compound in preparation of medicine for treating lung cancer	20180124
CN-108078994-B	Application of 6- (2-morpholinyl acetamido) quinazoline compound in preparation of medicine for treating lung cancer	20180124

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Complexity:	233
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	208.9992041
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	208.9992041
Rotatable Bond Count:	0
Topological Polar Surface Area:	71.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3