2-Chloro-4-ethoxyquinoline - CAS 4295-08-3

Technical Data

IUPAC Name:	2-chloro-4-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=CC(=NC2=CC=CC=C21)Cl
InChI:	InChI=1S/C11H10ClNO/c1-2-14-10-7-11(12)13-9-6-4-3-5-8(9)10/h3-7H,2H2,1H3
InChI Key:	ZEEUHLMFYVCBOE-UHFFFAOYSA-N
Melting Point:	83-85°C
Solubility:	Chloroform, Ethyl Acetate
Appearance:	White Solid
Storage:	Refrigerator, Under Inert Atmosphere
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:	3.5