Quinoline-2-D - CAS 15793-81-4

Catalog:	BB011366
Product Name:	Quinoline-2-D
CAS:	15793-81-4
Synonyms:	2-deuterioquinoline; 2-deuterioquinoline

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	2-deuterioquinoline
Description:	Quinoline-2-D (CAS# 15793-81-4 ) is a useful research chemical.
Molecular Weight:	130.16
Molecular Formula:	C9H6ND
Canonical SMILES:	C1=CC=C2C(=C1)C=CC=N2
InChI:	InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H/i7D
InChI Key:	SMWDFEZZVXVKRB-WHRKIXHSSA-N
LogP:	2.23480

Publication Number	Title	Priority Date
US-2016046633-A1	Bmp inhibitors and methods of use thereof	20130314
US-9682983-B2	BMP inhibitors and methods of use thereof	20130314
MX-PA01013410-A	OPENERS OF THE POTASSIUM CHANNEL.	19990623
EP-1150977-B1	Phenyl urea and phenyl thiourea derivatives as orexin receptor antagonists	19990212
US-6699879-B1	Phenyl urea and phenyl thiourea derivatives as orexin receptor antagonists	19990212

PMID	Publication Date	Title	Journal
22190693	20120301	Deuterium isotope effects on drug pharmacokinetics. I. System-dependent effects of specific deuteration with aldehyde oxidase cleared drugs	Drug metabolism and disposition: the biological fate of chemicals

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Complexity:	111
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	130.064125973
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	1
Monoisotopic Mass:	130.064125973
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2