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

C19H20N2O2 — CID 165060235

IUPAC7-ethynyl-8-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-5H-quinolin-6-one
SMILESC#CC1=C(N2CCC3(CC2)CC(O)C3)c2ncccc2CC1=O
InChIInChI=1S/C19H20N2O2/c1-2-15-16(23)10-13-4-3-7-20-17(13)18(15)21-8-5-19(6-9-21)11-14(22)12-19/h1,3-4,7,14,22H,5-6,8-12H2
InChIKeyWZRMYEDVLAIPTH-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.79
Rot. Bonds1

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

7-ethynyl-8-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-5H-quinolin-6-one (PubChem CID 165060235) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 7-ethynyl-8-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-5H-quinolin-6-one.

Molecular Properties

Compound Name7-ethynyl-8-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-5H-quinolin-6-one
PubChem CID165060235
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name7-ethynyl-8-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-5H-quinolin-6-one
SMILESC#CC1=C(N2CCC3(CC2)CC(O)C3)c2ncccc2CC1=O
InChIInChI=1S/C19H20N2O2/c1-2-15-16(23)10-13-4-3-7-20-17(13)18(15)21-8-5-19(6-9-21)11-14(22)12-19/h1,3-4,7,14,22H,5-6,8-12H2
InChIKeyWZRMYEDVLAIPTH-UHFFFAOYSA-N
XLogP1.79
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-ethynyl-8-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-5H-quinolin-6-one?
The IUPAC name of 7-ethynyl-8-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-5H-quinolin-6-one (CID 165060235) is 7-ethynyl-8-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-5H-quinolin-6-one.
What is the SMILES notation for 7-ethynyl-8-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-5H-quinolin-6-one?
The canonical SMILES for 7-ethynyl-8-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-5H-quinolin-6-one is C#CC1=C(N2CCC3(CC2)CC(O)C3)c2ncccc2CC1=O.
What is the InChIKey of 7-ethynyl-8-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-5H-quinolin-6-one?
The InChIKey is WZRMYEDVLAIPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-2-15-16(23)10-13-4-3-7-20-17(13)18(15)21-8-5-19(6-9-21)11-14(22)12-19/h1,3-4,7,14,22H,5-6,8-12H2.
What are the key properties of 7-ethynyl-8-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-5H-quinolin-6-one?
7-ethynyl-8-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-5H-quinolin-6-one has a molecular weight of 308.38 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethynyl-8-(2-hydroxy-7-azaspiro[3.5]nonan-7-yl)-5H-quinolin-6-one is sourced from PubChem (CID 165060235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).