3-Chloroisoquinoline - CAS 19493-45-9

Catalog:	BB015091
Product Name:	3-Chloroisoquinoline
CAS:	19493-45-9
Synonyms:	3-chloroisoquinoline; 3-chloroisoquinoline

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Computed Properties

IUPAC Name:	3-chloroisoquinoline
Description:	3-Chloroisoquinoline (CAS# 19493-45-9) is a useful research chemical.
Molecular Weight:	163.60
Molecular Formula:	C9H6ClN
Canonical SMILES:	C1=CC=C2C=NC(=CC2=C1)Cl
InChI:	InChI=1S/C9H6ClN/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-6H
InChI Key:	CPCMFADZMOYDSZ-UHFFFAOYSA-N
Boiling Point:	291.8 °C at 760 mmHg
Density:	1.27 g/cm³
Appearance:	Solid
MDL:	MFCD05982009
LogP:	2.88820

Publication Number	Title	Priority Date
KR-102178181-B1	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20200331
KR-20200076655-A	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20200331
WO-2021011913-A1	Tau-protein targeting compounds and associated methods of use	20190717
WO-2020146822-A1	Leukotriene synthesis inhibitors	20190111
WO-2020130214-A1	Novel hydrazone derivative with aryl or heteroaryl group substituted at terminal amine group thereof and use thereof	20181219

PMID	Publication Date	Title	Journal
22111927	20111222	Structure-guided evolution of potent and selective CHK1 inhibitors through scaffold morphing	Journal of medicinal chemistry

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Related Functional Groups

Quinoline/Isoquinoline

[948291-36-9]
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[203506-30-3]
2-Amino-6-methoxy-3-methylquinoline
[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
[36034-54-5]
4-Methoxyisoquinoline

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GHS Hazard Statement:	H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	163.0188769
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	163.0188769
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1