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2,3,4,9-Tetrahydro-1H-pyrido[3,4-b]indol-1-one

2,3,4,9-Tetrahydro-1H-pyrido[3,4-b]indol-1-one - CAS 17952-82-8

Catalog:	BB013579
Product Name:	2,3,4,9-Tetrahydro-1H-pyrido[3,4-b]indol-1-one
CAS:	17952-82-8
Synonyms:	2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one; 2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one

Technical Data

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Computed Properties

IUPAC Name:	2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
Description:	2,3,4,9-Tetrahydro-1H-pyrido[3,4-b]indol-1-one (CAS# 17952-82-8 ) is a useful research chemical.
Molecular Weight:	186.21
Molecular Formula:	C11H10N2O
Canonical SMILES:	C1CNC(=O)C2=C1C3=CC=CC=C3N2
InChI:	InChI=1S/C11H10N2O/c14-11-10-8(5-6-12-11)7-3-1-2-4-9(7)13-10/h1-4,13H,5-6H2,(H,12,14)
InChI Key:	FZHZQHNKCPJTNQ-UHFFFAOYSA-N
Boiling Point:	529.2 °C at 760 mmHg
Density:	1.318 g/cm³
MDL:	MFCD00065240
LogP:	1.78260

Publication Number	Title	Priority Date
CN-112135613-A	Kinase inhibitor compounds and compositions and methods of use	20180320
US-2021094950-A1	Kinase inhibitor compounds and compositions and methods of use	20180320
JP-2021518413-A	Kinase inhibitor compounds and compositions and usage	20180320
WO-2014188193-A1	Peptidylarginine deiminases (pad) inhibitors	20130521
CN-103319480-A	Preparation method of 2, 3, 4, 9-tetrahydro-beta-carboline-1-one	20130130

PMID	Publication Date	Title	Journal
22342628	20120315	β-Carboline alkaloids from the leaves of Trigonostemon lii Y.T. Chang	Bioorganic & medicinal chemistry letters
21579570	20100529	2-[2-(Methyl-amino)-benzo-yl]-2,3,4,9-tetra-hydro-1H-pyrido[3,4-b]indol-1-one	Acta crystallographica. Section E, Structure reports online
12828469	20030601	New manzamine alkaloids with activity against infectious and tropical parasitic diseases from an Indonesian sponge	Journal of natural products

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Complexity:	254
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	186.079312947
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	186.079312947
Rotatable Bond Count:	0
Topological Polar Surface Area:	44.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7