6-Chloro-4,4-dimethyl-2,3-dihydro-1H-quinoline - CAS 1187933-22-7

Catalog:	BB070177
Product Name:	6-Chloro-4,4-dimethyl-2,3-dihydro-1H-quinoline
CAS:	1187933-22-7
Synonyms:	6-Chloro-1,2,3,4-tetrahydro-4,4-dimethyl-quinoline

Technical Data

Computed Properties

IUPAC Name:	6-chloro-4,4-dimethyl-2,3-dihydro-1H-quinoline
Description:	6-Chloro-4,4-dimethyl-2,3-dihydro-1H-quinoline is used as a reactant in the preparation of isoxazole hydroxamic acids as HDAC6 inhibitors.
Molecular Weight:	195.69
Molecular Formula:	C11H14ClN
Canonical SMILES:	CC1(CCNC2=C1C=C(C=C2)Cl)C
InChI:	InChI=1S/C11H14ClN/c1-11(2)5-6-13-10-4-3-8(12)7-9(10)11/h3-4,7,13H,5-6H2,1-2H3
InChI Key:	KLQXXWRCOQGDIS-UHFFFAOYSA-N
References:	Villagra, Alejandro, et al. PCT Int. Appl., WO 2018183701 A1 20181004 (2018).

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Complexity:	191
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	195.0814771
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	195.0814771
Rotatable Bond Count:	0
Topological Polar Surface Area:	12Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.8