5-(2-azaspiro[3.5]nonan-2-yl)-6-ethynyl-8H-isoquinolin-7-one

C19H20N2O — CID 159759522

IUPAC5-(2-azaspiro[3.5]nonan-2-yl)-6-ethynyl-8H-isoquinolin-7-one
SMILESC#CC1=C(N2CC3(CCCCC3)C2)c2ccncc2CC1=O
InChIInChI=1S/C19H20N2O/c1-2-15-17(22)10-14-11-20-9-6-16(14)18(15)21-12-19(13-21)7-4-3-5-8-19/h1,6,9,11H,3-5,7-8,10,12-13H2
InChIKeyNCDSVOGMKKDLMU-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.82
Rot. Bonds1

About 5-(2-azaspiro[3.5]nonan-2-yl)-6-ethynyl-8H-isoquinolin-7-one

5-(2-azaspiro[3.5]nonan-2-yl)-6-ethynyl-8H-isoquinolin-7-one (PubChem CID 159759522) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-(2-azaspiro[3.5]nonan-2-yl)-6-ethynyl-8H-isoquinolin-7-one.

Molecular Properties

Compound Name5-(2-azaspiro[3.5]nonan-2-yl)-6-ethynyl-8H-isoquinolin-7-one
PubChem CID159759522
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name5-(2-azaspiro[3.5]nonan-2-yl)-6-ethynyl-8H-isoquinolin-7-one
SMILESC#CC1=C(N2CC3(CCCCC3)C2)c2ccncc2CC1=O
InChIInChI=1S/C19H20N2O/c1-2-15-17(22)10-14-11-20-9-6-16(14)18(15)21-12-19(13-21)7-4-3-5-8-19/h1,6,9,11H,3-5,7-8,10,12-13H2
InChIKeyNCDSVOGMKKDLMU-UHFFFAOYSA-N
XLogP2.82
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-(2-azaspiro[3.5]nonan-2-yl)-6-ethynyl-8H-isoquinolin-7-one with MolForge

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Related Compounds

7-(6-ethynyl-7-oxo-8H-isoquinolin-5-yl)-7-azaspiro[3.5]nonane-2-carbonitrile
CID 158976110
5-chloro-7-oxo-8H-isoquinoline-6-carbonitrile;5-(2,2-difluoro-7-azaspiro[3.5]nonan-7-yl)-7-oxo-8H-isoquinoline-6-carbonitrile;2,2-difluorospiro[3.5]nonane
CID 159313814
5-(7-azaspiro[3.5]nonan-7-yl)-6-ethynyl-3-methyl-8H-isoquinolin-7-one
CID 157246558
5-[4,4-bis(hydroxymethyl)piperidin-1-yl]-7-oxo-8H-isoquinoline-6-carbonitrile;5-chloro-7-oxo-8H-isoquinoline-6-carbonitrile;[1-(hydroxymethyl)cyclohexyl]methanol
CID 162249315
5-(7-azaspiro[3.5]nonan-7-yl)-6-ethynyl-3-(1-hydroxyethyl)-8H-isoquinolin-7-one
CID 157319199
3-(3-aminoazetidin-1-yl)-5-(7-azaspiro[3.5]nonan-7-yl)-6-ethynyl-8H-isoquinolin-7-one
CID 159464534
3-ethynyl-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-1H-naphthalen-2-one
CID 163971764
8-(7-azaspiro[3.5]nonan-7-yl)-2-chloro-7-ethynyl-5H-quinolin-6-one
CID 165041622
7-ethynyl-8-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-5H-quinolin-6-one
CID 165060235
2-pyridazin-4-yl-2-azaspiro[3.4]octane
CID 156722253
7,8-dihydro-6H-isoquinolin-5-one;hydrochloride
CID 23157166
3-acetyl-5-(6-azaspiro[2.5]octan-6-yl)-6-ethynyl-8H-isoquinolin-7-one;5-(7-azaspiro[3.5]nonan-7-yl)-6-ethynyl-3-(1-hydroxyethyl)-8H-isoquinolin-7-one;5-(6-azaspiro[2.5]octan-6-yl)-6-ethynyl-3-(1-hydroxyethyl)-8H-isoquinolin-7-one;1-[5-(6-azaspiro[2.5]octan-6-yl)-6-ethynyl-7-oxo-8H-isoquinolin-3-yl]ethyl acetate;5-(6-azaspiro[2.5]octan-6-yl)-6-ethynyl-3-propanoyl-8H-isoquinolin-7-one
CID 157319195

Frequently Asked Questions

What is the IUPAC name of 5-(2-azaspiro[3.5]nonan-2-yl)-6-ethynyl-8H-isoquinolin-7-one?
The IUPAC name of 5-(2-azaspiro[3.5]nonan-2-yl)-6-ethynyl-8H-isoquinolin-7-one (CID 159759522) is 5-(2-azaspiro[3.5]nonan-2-yl)-6-ethynyl-8H-isoquinolin-7-one.
What is the SMILES notation for 5-(2-azaspiro[3.5]nonan-2-yl)-6-ethynyl-8H-isoquinolin-7-one?
The canonical SMILES for 5-(2-azaspiro[3.5]nonan-2-yl)-6-ethynyl-8H-isoquinolin-7-one is C#CC1=C(N2CC3(CCCCC3)C2)c2ccncc2CC1=O.
What is the InChIKey of 5-(2-azaspiro[3.5]nonan-2-yl)-6-ethynyl-8H-isoquinolin-7-one?
The InChIKey is NCDSVOGMKKDLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-2-15-17(22)10-14-11-20-9-6-16(14)18(15)21-12-19(13-21)7-4-3-5-8-19/h1,6,9,11H,3-5,7-8,10,12-13H2.
What are the key properties of 5-(2-azaspiro[3.5]nonan-2-yl)-6-ethynyl-8H-isoquinolin-7-one?
5-(2-azaspiro[3.5]nonan-2-yl)-6-ethynyl-8H-isoquinolin-7-one has a molecular weight of 292.38 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-azaspiro[3.5]nonan-2-yl)-6-ethynyl-8H-isoquinolin-7-one is sourced from PubChem (CID 159759522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).