8-(6-azaspiro[2.5]octan-6-yl)-7-ethynyl-2-(2-hydroxypropan-2-yl)-5H-quinolin-6-one

C21H24N2O2 — CID 165029171

IUPAC8-(6-azaspiro[2.5]octan-6-yl)-7-ethynyl-2-(2-hydroxypropan-2-yl)-5H-quinolin-6-one
SMILESC#CC1=C(N2CCC3(CC2)CC3)c2nc(C(C)(C)O)ccc2CC1=O
InChIInChI=1S/C21H24N2O2/c1-4-15-16(24)13-14-5-6-17(20(2,3)25)22-18(14)19(15)23-11-9-21(7-8-21)10-12-23/h1,5-6,25H,7-13H2,2-3H3
InChIKeyRUIAZLJFWJQFMQ-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.65
Rot. Bonds2

About 8-(6-azaspiro[2.5]octan-6-yl)-7-ethynyl-2-(2-hydroxypropan-2-yl)-5H-quinolin-6-one

8-(6-azaspiro[2.5]octan-6-yl)-7-ethynyl-2-(2-hydroxypropan-2-yl)-5H-quinolin-6-one (PubChem CID 165029171) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 8-(6-azaspiro[2.5]octan-6-yl)-7-ethynyl-2-(2-hydroxypropan-2-yl)-5H-quinolin-6-one.

Molecular Properties

Compound Name8-(6-azaspiro[2.5]octan-6-yl)-7-ethynyl-2-(2-hydroxypropan-2-yl)-5H-quinolin-6-one
PubChem CID165029171
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name8-(6-azaspiro[2.5]octan-6-yl)-7-ethynyl-2-(2-hydroxypropan-2-yl)-5H-quinolin-6-one
SMILESC#CC1=C(N2CCC3(CC2)CC3)c2nc(C(C)(C)O)ccc2CC1=O
InChIInChI=1S/C21H24N2O2/c1-4-15-16(24)13-14-5-6-17(20(2,3)25)22-18(14)19(15)23-11-9-21(7-8-21)10-12-23/h1,5-6,25H,7-13H2,2-3H3
InChIKeyRUIAZLJFWJQFMQ-UHFFFAOYSA-N
XLogP2.65
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-ethenyl-7-ethynyl-8-(4-methoxy-4-methylpiperidin-1-yl)-5H-quinolin-6-one
CID 165092403
8-(6-azaspiro[2.5]octan-6-yl)-2-(4-hydroxybutanoyl)-6-oxo-5H-quinoline-7-carbonitrile
CID 165083517
5-(6-azaspiro[2.5]octan-6-yl)-3-(dimethylamino)-6-ethynyl-8H-isoquinolin-7-one
CID 158976114
5-(7-azaspiro[3.5]nonan-7-yl)-6-ethynyl-3-methyl-8H-isoquinolin-7-one
CID 157246558
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-(6-azaspiro[2.5]octan-6-yl)-6-ethynyl-8H-isoquinolin-7-one
CID 159464532
5-(7-azaspiro[3.5]nonan-7-yl)-3-(dimethylamino)-6-ethynyl-8H-isoquinolin-7-one
CID 158606730
3-ethynyl-4-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-1H-naphthalen-2-one
CID 163971764
2-[cyclopropyl(hydroxy)methyl]-7-ethynyl-8-(4-methoxy-4-methylpiperidin-1-yl)-5H-quinolin-6-one;7-ethynyl-2-(1-hydroxyethyl)-8-(4-methoxy-4-methylpiperidin-1-yl)-5H-quinolin-6-one;7-ethynyl-2-(2-hydroxypropan-2-yl)-8-(4-methoxy-4-methylpiperidin-1-yl)-5H-quinolin-6-one;7-ethynyl-8-[3-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-5H-quinolin-6-one;7-ethynyl-8-[(3S)-3-(1,2,4-triazol-1-yl)pyrrolidin-1-yl]-5H-quinolin-6-one
CID 165102717
3-(3-aminoazetidin-1-yl)-5-(7-azaspiro[3.5]nonan-7-yl)-6-ethynyl-8H-isoquinolin-7-one
CID 159464534

Frequently Asked Questions

What is the IUPAC name of 8-(6-azaspiro[2.5]octan-6-yl)-7-ethynyl-2-(2-hydroxypropan-2-yl)-5H-quinolin-6-one?
The IUPAC name of 8-(6-azaspiro[2.5]octan-6-yl)-7-ethynyl-2-(2-hydroxypropan-2-yl)-5H-quinolin-6-one (CID 165029171) is 8-(6-azaspiro[2.5]octan-6-yl)-7-ethynyl-2-(2-hydroxypropan-2-yl)-5H-quinolin-6-one.
What is the SMILES notation for 8-(6-azaspiro[2.5]octan-6-yl)-7-ethynyl-2-(2-hydroxypropan-2-yl)-5H-quinolin-6-one?
The canonical SMILES for 8-(6-azaspiro[2.5]octan-6-yl)-7-ethynyl-2-(2-hydroxypropan-2-yl)-5H-quinolin-6-one is C#CC1=C(N2CCC3(CC2)CC3)c2nc(C(C)(C)O)ccc2CC1=O.
What is the InChIKey of 8-(6-azaspiro[2.5]octan-6-yl)-7-ethynyl-2-(2-hydroxypropan-2-yl)-5H-quinolin-6-one?
The InChIKey is RUIAZLJFWJQFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-4-15-16(24)13-14-5-6-17(20(2,3)25)22-18(14)19(15)23-11-9-21(7-8-21)10-12-23/h1,5-6,25H,7-13H2,2-3H3.
What are the key properties of 8-(6-azaspiro[2.5]octan-6-yl)-7-ethynyl-2-(2-hydroxypropan-2-yl)-5H-quinolin-6-one?
8-(6-azaspiro[2.5]octan-6-yl)-7-ethynyl-2-(2-hydroxypropan-2-yl)-5H-quinolin-6-one has a molecular weight of 336.44 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-azaspiro[2.5]octan-6-yl)-7-ethynyl-2-(2-hydroxypropan-2-yl)-5H-quinolin-6-one is sourced from PubChem (CID 165029171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).