3-(4-Isopropylbenzylidene)-2-indolinone - CAS 186611-55-2

Catalog:	BB014353
Product Name:	3-(4-Isopropylbenzylidene)-2-indolinone
CAS:	186611-55-2
Synonyms:	(3E)-3-[(4-propan-2-ylphenyl)methylidene]-1H-indol-2-one; (3E)-3-[(4-propan-2-ylphenyl)methylidene]-1H-indol-2-one

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	(3E)-3-[(4-propan-2-ylphenyl)methylidene]-1H-indol-2-one
Description:	3-(4-Isopropylbenzylidene)-2-indolinone (CAS# 186611-55-2 ) is a useful research chemical.
Molecular Weight:	263.33
Molecular Formula:	C18H17NO
Canonical SMILES:	CC(C)C1=CC=C(C=C1)C=C2C3=CC=CC=C3NC2=O
InChI:	InChI=1S/C18H17NO/c1-12(2)14-9-7-13(8-10-14)11-16-15-5-3-4-6-17(15)19-18(16)20/h3-12H,1-2H3,(H,19,20)/b16-11+
InChI Key:	IRQQWCZKCUQNSO-LFIBNONCSA-N
LogP:	4.44070

Publication Number	Title	Priority Date
US-10183927-B2	Crystalline forms of C21H22Cl2N4O2	20150130
US-2016221988-A1	CRYSTALLINE C21H22Cl2N4O2 MALONATE	20150130
US-2017320850-A1	CRYSTALLINE C21H22Cl2N4O2 MALONATE	20150130
US-2017320851-A1	CRYSTALLINE FORMS OF C21H22Cl2N4O2	20150130
US-2019127348-A1	CRYSTALLINE FORMS OF C21H22Cl2N4O2	20150130

PMID	Publication Date	Title	Journal
11931626	20020411	A common mechanism underlying promiscuous inhibitors from virtual and high-throughput screening	Journal of medicinal chemistry
10956210	20000810	DoMCoSAR: a novel approach for establishing the docking mode that is consistent with the structure-activity relationship. Application to HIV-1 protease inhibitors and VEGF receptor tyrosine kinase inhibitors	Journal of medicinal chemistry
9651163	19980702	Synthesis and biological evaluations of 3-substituted indolin-2-ones: a novel class of tyrosine kinase inhibitors that exhibit selectivity toward particular receptor tyrosine kinases	Journal of medicinal chemistry

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide

Complexity:	390
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	263.131014166
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	263.131014166
Rotatable Bond Count:	2
Topological Polar Surface Area:	29.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4