3-Hydroxyquinoline - CAS 580-18-7

Catalog:	BB029902
Product Name:	3-Hydroxyquinoline
CAS:	580-18-7
Synonyms:	3-quinolinol; quinolin-3-ol

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Computed Properties

IUPAC Name:	quinolin-3-ol
Description:	3-Hydroxyquinoline (CAS# 580-18-7) is a chemical reagent used in the preparation cyclic peptides with an antitumor functionality. Quinoline derivative as a result of the metabolism by cytochrome P 450.
Molecular Weight:	145.16
Molecular Formula:	C9H7NO
Canonical SMILES:	C1=CC=C2C(=C1)C=C(C=N2)O
InChI:	InChI=1S/C9H7NO/c11-8-5-7-3-1-2-4-9(7)10-6-8/h1-6,11H
InChI Key:	IQQDNMHUOLMLNJ-UHFFFAOYSA-N
Boiling Point:	313 °C at 760 mmHg
Density:	1.26 g/cm³
MDL:	MFCD00169018
LogP:	1.94040

Publication Number	Title	Priority Date
US-2021188897-A1	Neuroactive steroids and compositions and methods thereof	20191205
WO-2021113068-A1	Neuroactive steroids and compositions and methods thereof	20191205
WO-2021105497-A1	Small-molecule nadph oxidase 2 inhibitors	20191129
US-2021147386-A1	Pyrrolidine and piperidine compounds	20191106
WO-2020257487-A1	Glycolate oxidase inhibitors for the treatment of disease	20190619

PMID	Publication Date	Title	Journal
22807411	20120917	Sensitisation of the near-infrared emission of Nd(III) from the singlet state of porphyrins bearing four 8-hydroxyquinolinylamide chelates	Chemphyschem : a European journal of chemical physics and physical chemistry
21338078	20110318	ESIPT-mediated photocycloadditions of 3-hydroxyquinolinones: development of a fluorescence quenching assay for reaction screening	Organic letters
14977867	20040301	An analysis of the regioselectivity of aromatic hydroxylation and N-oxygenation by cytochrome P450 enzymes	Drug metabolism and disposition: the biological fate of chemicals
12685510	20021201	Study of in vitro glucuronidation of hydroxyquinolines with bovine liver microsomes	Fundamental & clinical pharmacology
11456568	20010131	Total syntheses of thiocoraline and BE-22179 and assessment of their DNA binding and biological properties	Journal of the American Chemical Society

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Related Functional Groups

Quinoline/Isoquinoline

[938459-19-9]
2-Chloro-4-methyl-7-(methylthio)quinoline
[361982-79-8]
2-Chloro-4-methyl-7,8-dihydro-6H-cyclopenta[g]quinoline
[30740-95-5]
6,7-Dimethoxy-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid hydrochloride
[938001-63-9]
9-Chloro-1-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[4,3-b]quinoline
[892874-65-6]
2,7-Dimethylquinoline-3-carboxylic acid ethyl ester
[891782-60-8]
7-Bromo-3,4-dihydro-2H-isoquinolin-1-one

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GHS Hazard Statement:	H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	145.052763847
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	145.052763847
Rotatable Bond Count:	0
Topological Polar Surface Area:	33.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1