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1'H-Spiro[piperidine-4,4'-quinazolin]-2'(3'H)-one

1'H-Spiro[piperidine-4,4'-quinazolin]-2'(3'H)-one - CAS 635713-68-7

Catalog:	BB032200
Product Name:	1'H-Spiro[piperidine-4,4'-quinazolin]-2'(3'H)-one
CAS:	635713-68-7
Synonyms:	2-spiro[1,3-dihydroquinazoline-4,4'-piperidine]one; spiro[1,3-dihydroquinazoline-4,4'-piperidine]-2-one

Technical Data

Patents

Computed Properties

IUPAC Name:	spiro[1,3-dihydroquinazoline-4,4'-piperidine]-2-one
Description:	1'H-Spiro[piperidine-4,4'-quinazolin]-2'(3'H)-one (CAS# 635713-68-7) is a useful research chemical.
Molecular Weight:	217.27
Molecular Formula:	C12H15N3O
Canonical SMILES:	C1CNCCC12C3=CC=CC=C3NC(=O)N2
InChI:	InChI=1S/C12H15N3O/c16-11-14-10-4-2-1-3-9(10)12(15-11)5-7-13-8-6-12/h1-4,13H,5-8H2,(H2,14,15,16)
InChI Key:	CFLDCJYCZAHJCK-UHFFFAOYSA-N
Boiling Point:	371.299 °C at 760 mmHg
Density:	1.268 g/cm³
LogP:	1.50720

Publication Number	Title	Priority Date
WO-2020216378-A1	Heterocyclic compound, application thereof, and composition containing same	20190426
JP-2013523792-A	Pharmaceutical combination containing a PDE4 inhibitor and an EP4 receptor antagonist	20100408
JP-2012519160-A	Combination drug containing PDE4 inhibitor and NSAID	20090227
EP-2265588-A1	INHIBITORS OF 11ÃŸ -HYDROXYSTEROID DEHYDROGENASE TYPE 1	20080227
EP-2265588-B1	INHIBITORS OF 11ÃŸ -HYDROXYSTEROID DEHYDROGENASE TYPE 1	20080227

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Complexity:	286
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	217.12151211
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	217.12151211
Rotatable Bond Count:	0
Topological Polar Surface Area:	53.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4