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3-(Chloromethyl)-1-methylquinolin-2(1H)-one

3-(Chloromethyl)-1-methylquinolin-2(1H)-one - CAS 879566-77-5

Catalog:	BB038701
Product Name:	3-(Chloromethyl)-1-methylquinolin-2(1H)-one
CAS:	879566-77-5
Synonyms:	3-(chloromethyl)-1-methyl-2-quinolinone; 3-(chloromethyl)-1-methylquinolin-2-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-(chloromethyl)-1-methylquinolin-2-one
Description:	3-(Chloromethyl)-1-methylquinolin-2(1H)-one (CAS# 879566-77-5) is a useful research chemical.
Molecular Weight:	207.66
Molecular Formula:	C11H10ClNO
Canonical SMILES:	CN1C2=CC=CC=C2C=C(C1=O)CCl
InChI:	InChI=1S/C11H10ClNO/c1-13-10-5-3-2-4-8(10)6-9(7-12)11(13)14/h2-6H,7H2,1H3
InChI Key:	RRBZYQKQFDGOIY-UHFFFAOYSA-N
LogP:	2.27730

Publication Number	Title	Priority Date
AU-2007298286-A1	Pyrazolopyrimidine derivative	20060919
AU-2007298286-B2	Pyrazolopyrimidine derivative	20060919
BR-PI0717176-A2	HSP90 INHIBITORS, HSP90 ATPASE ACTIVITY AND HSP90 TO ATP CONNECTION, MEDICINAL PRODUCT, ANTICANCER AGENT, PHARMACEUTICAL COMPOSITION, METHOD FOR TREATING CANCER, AND, USE OF COMPOUND	20060919
CA-2663965-C	Pyrazolopyrimidine derivative and use thereof as an anticancer agent	20060919
EP-2065388-A1	Pyrazolopyrimidine derivative	20060919

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Related Functional Groups

Halides

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	275
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	207.0450916
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	207.0450916
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9