5-Aminoquinolin-2(1H)-one - CAS 61317-32-6

Catalog:	BB031052
Product Name:	5-Aminoquinolin-2(1H)-one
CAS:	61317-32-6
Synonyms:	5-amino-1H-quinolin-2-one; 5-amino-1H-quinolin-2-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-amino-1H-quinolin-2-one
Description:	5-Aminoquinolin-2(1H)-one (CAS# 61317-32-6) is an intermediate in the synthesis of orally available transient receptor potential vanilloid 1 (TRPV1) antagonists.
Molecular Weight:	160.17
Molecular Formula:	C9H8N2O
Canonical SMILES:	C1=CC2=C(C=CC(=O)N2)C(=C1)N
InChI:	InChI=1S/C9H8N2O/c10-7-2-1-3-8-6(7)4-5-9(12)11-8/h1-5H,10H2,(H,11,12)
InChI Key:	DANDEJPAZFBPAS-UHFFFAOYSA-N
LogP:	2.10380

Publication Number	Title	Priority Date
WO-2021042046-A1	Membrane-active anti-bacterial compounds and uses thereof	20190830
EP-3331861-A1	Process for the preparation of 5-amino-quinolin-2(1h)-ones and their tautomer forms 5-amino-quinolin-2-ols	20150807
JP-2018523667-A	Process for the preparation of 5-amino-quinolin-2 (1H) -one and its tautomeric form 5-amino-quinolin-2-ol	20150807
US-2018230101-A1	Process for the preparation of 5-amino-quinolin-2(1h)-ones and their tautomer forms 5-amino-quinolin-2-ols	20150807
WO-2017025371-A1	Process for the preparation of 5-amino-quinolin-2(1h)-ones and their tautomer forms 5-amino-quinolin-2-ols	20150807

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Related Functional Groups

Amines and Anilines

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	225
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	160.063662883
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	160.063662883
Rotatable Bond Count:	0
Topological Polar Surface Area:	55.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7