2,4-Dichloro-7-nitroquinazoline - CAS 129112-65-8

Catalog:	BB067983
Product Name:	2,4-Dichloro-7-nitroquinazoline
CAS:	129112-65-8
Synonyms:	2,4-dichloro-7-nitroquinazoline; Quinazoline, 2,?4-?dichloro-?7-?nitro-; Quinazoline, 2,4-dichloro-7-nitro-

Technical Data

IUPAC Name:	2,4-dichloro-7-nitroquinazoline
Description:	2,4-Dichloro-7-nitroquinazoline is an intermediate used in the synthesis of 4-phenoxy-2-(1-piperazinyl)quinazolines as potent anticonvulsive and antihypoxic agents. It is also used to prepare quinazoline-based stem cell mobilizers targeting chemokine receptor CXCR4.
Molecular Weight:	244.03
Molecular Formula:	C8H3Cl2N3O2
Canonical SMILES:	C1=CC2=C(C=C1[N+](=O)[O-])N=C(N=C2Cl)Cl
InChI:	InChI=1S/C8H3Cl2N3O2/c9-7-5-2-1-4(13(14)15)3-6(5)11-8(10)12-7/h1-3H
InChI Key:	GTUFSSBJSUBKFD-UHFFFAOYSA-N
References:	Hori, M., et al. Chem. Pharm. Bull., 38, 681 (1990); Wu, C., et al. J. Med. Chem., 58, 2315 (2015).

Complexity:	261
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	242.9602317
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	242.9602317
Rotatable Bond Count:	0
Topological Polar Surface Area:	71.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3