6-Methoxyisoquinoline - CAS 52986-70-6

Catalog:	BB028009
Product Name:	6-Methoxyisoquinoline
CAS:	52986-70-6
Synonyms:	6-methoxyisoquinoline; 6-methoxyisoquinoline

Technical Data

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Computed Properties

IUPAC Name:	6-methoxyisoquinoline
Description:	6-Methoxyisoquinoline (CAS# 52986-70-6) is a compound useful in organic synthesis.
Molecular Weight:	159.18
Molecular Formula:	C10H9NO
Canonical SMILES:	COC1=CC2=C(C=C1)C=NC=C2
InChI:	InChI=1S/C10H9NO/c1-12-10-3-2-9-7-11-5-4-8(9)6-10/h2-7H,1H3
InChI Key:	XZNUJESLPUNSNO-UHFFFAOYSA-N
Boiling Point:	295.6 °C at 760 mmHg
Density:	1.13 g/cm³
MDL:	MFCD04114861
LogP:	2.24340

Publication Number	Title	Priority Date
WO-2021136763-A1	Isoquinoline derivatives for use in treating glut1 deficiency syndrome	20191230
WO-2020123674-A1	Substituted arylmethylureas and heteroarylmethylureas, analogues thereof, and methods using same	20181212
TW-202035359-A	Substituted arylmethylureas and heteroarylmethylureas, analogues thereof, and methods using same	20181212
EP-3893645-A1	Substituted arylmethylureas and heteroarylmethylureas, analogues thereof, and methods using same	20181212
KR-20210102942-A	Substituted arylmethylureas and heteroarylmethylureas, analogs thereof, and methods of use thereof	20181212

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Related Functional Groups

Quinoline/Isoquinoline

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[312713-96-5]
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[19490-87-0]
7-Methoxy-2-methylquinoline
[4038-97-5]
7-Methoxy-4-(piperazin-1-yl)quinoline

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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:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	159.068413911
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	159.068413911
Rotatable Bond Count:	1
Topological Polar Surface Area:	22.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2