8-Quinolinol N-oxide - CAS 1127-45-3

Catalog:	BB003038
Product Name:	8-Quinolinol N-oxide
CAS:	1127-45-3
Synonyms:	1-oxidoquinolin-1-ium-8-ol

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	1-oxidoquinolin-1-ium-8-ol
Description:	A quinoline derivative; shows mutagenic activity.
Molecular Weight:	161.16
Molecular Formula:	C9H7NO2
Canonical SMILES:	C1=CC2=C(C(=C1)O)[N+](=CC=C2)[O-]
InChI:	InChI=1S/C9H7NO2/c11-8-5-1-3-7-4-2-6-10(12)9(7)8/h1-6,11H
InChI Key:	FJKUOCCQEBLPNX-UHFFFAOYSA-N
Boiling Point:	267 °C
Melting Point:	135-140 °C
Purity:	95 %
Density:	1.28 g/cm³
Appearance:	Yellow solid
Storage:	Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture.
MDL:	MFCD00006739
LogP:	1.97390

Publication Number	Title	Priority Date
CN-113024584-A	8-hydroxyquinoline complex for treating lung cancer and preparation method thereof	20210324
CN-111187227-A	2- (1,2, 4-triazole) benzoyl arylamine active compound for inhibiting wheat take-all disease bacteria	20200120
CN-111187227-B	2- (1,2, 4-triazole) benzoyl arylamine active compound for inhibiting wheat take-all disease bacteria	20200120
WO-2021147484-A1	2-(1,2,4-triazolyl)benzoyl arylamine active compound for inhibiting wheat take-all pathogen	20200120
JP-2021098675-A	Fiber surface treatment method	20191223

PMID	Publication Date	Title	Journal
21189019	20110127	Identifying chelators for metalloprotein inhibitors using a fragment-based approach	Journal of medicinal chemistry
21580503	20100313	catena-Poly[[[diaqua-bis(8-hydroxy-quinoline N-oxide-κO)cobalt(II)]-μ-2,5-dimethyl-pyrazine 1,4-dioxide-κO:O] bis-(perchlorate)]	Acta crystallographica. Section E, Structure reports online
15236297	20040601	Distinguishing N-oxide and hydroxyl compounds: impact of heated capillary/heated ion transfer tube in inducing atmospheric pressure ionization source decompositions	Journal of mass spectrometry : JMS
12788469	20030701	DFT studies of the structure and vibrational spectra of 8-hydroxyquinoline N-oxide	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

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4-Hydroxy-6-methoxyquinoline-3-carboxylic acid ethyl ester
[79660-46-1]
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[179943-57-8]
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Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	161.047678466
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	161.047678466
Rotatable Bond Count:	0
Topological Polar Surface Area:	45.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4