6-Ethyl-4-hydroxyquinoline - CAS 303121-13-3

Catalog:	BB020544
Product Name:	6-Ethyl-4-hydroxyquinoline
CAS:	303121-13-3
Synonyms:	6-ethyl-1H-quinolin-4-one

Technical Data

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Computed Properties

IUPAC Name:	6-ethyl-1H-quinolin-4-one
Description:	6-Ethyl-4-hydroxyquinoline (CAS# 303121-13-3) is a useful research chemical.
Molecular Weight:	173.21
Molecular Formula:	C11H11NO
Canonical SMILES:	CCC1=CC2=C(C=C1)NC=CC2=O
InChI:	InChI=1S/C11H11NO/c1-2-8-3-4-10-9(7-8)11(13)5-6-12-10/h3-7H,2H2,1H3,(H,12,13)
InChI Key:	BXKNYSZMAPLOOY-UHFFFAOYSA-N
Boiling Point:	300.8 °C at 760 mmHg
Purity:	95 %
Density:	1.118 g/cm³
LogP:	2.50280

Publication Number	Title	Priority Date
US-2020231570-A1	Heterocyclic compounds as adenosine antagonists	20190118
US-2020102311-A1	Monoacylglycerol Lipase Modulators	20180928
US-2020039989-A1	Small molecule inhibitors of dyrk/clk and uses thereof	20180301
US-2019023666-A1	Heterocyclic compounds as adenosine antagonists	20170718
US-11028058-B2	Heterocyclic compounds as adenosine antagonists	20170718

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement:	P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501
Signal Word:	Danger

Complexity:	234
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	173.084063974
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	173.084063974
Rotatable Bond Count:	1
Topological Polar Surface Area:	29.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4