4-Chloro-2-ethoxyquinoline - CAS 91348-94-6

Catalog:	BB070135
Product Name:	4-Chloro-2-ethoxyquinoline
CAS:	91348-94-6
Synonyms:	4-Chloro-2-ethoxyquinoline; 2-Ethoxy-4-chloroquinoline; 4-chloro-2-quinolinyl ethyl ether; 4-Chloro-2-ethoxyquinoline, AldrichCPR

Technical Data

IUPAC Name:	4-chloro-2-ethoxyquinoline
Description:	Quinoline derivative used in the preparation of compounds with anticonvulsant activity as well as compounds with potent antibacterial activity against gram-positive pathogens.
Molecular Weight:	207.66
Molecular Formula:	C11H10ClNO
Canonical SMILES:	CCOC1=NC2=CC=CC=C2C(=C1)Cl
InChI:	InChI=1S/C11H10ClNO/c1-2-14-11-7-9(12)8-5-3-4-6-10(8)13-11/h3-7H,2H2,1H3
InChI Key:	MIEWYQHHTOEPEI-UHFFFAOYSA-N
Appearance:	Off-White Solid
References:	Guo, L. et al. Eur. J. Med. Chem., 44, 954 (2009); Jarvest, R.L. et al. J. Med. Chem., 45, 1959 (2002).

Complexity:	188
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	207.0450916
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	207.0450916
Rotatable Bond Count:	2
Topological Polar Surface Area:	22.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.1