9-isoquinolin-1-yl-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one

C22H27N3O2 — CID 66723598

IUPAC9-isoquinolin-1-yl-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C2CCOCC2)CCC12CCCN(c1nccc3ccccc13)C2
InChIInChI=1S/C22H27N3O2/c26-21-22(10-13-25(21)18-7-14-27-15-8-18)9-3-12-24(16-22)20-19-5-2-1-4-17(19)6-11-23-20/h1-2,4-6,11,18H,3,7-10,12-16H2
InChIKeyVAMAPJSVXLKTAD-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.23
Rot. Bonds2

About 9-isoquinolin-1-yl-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one

9-isoquinolin-1-yl-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 66723598) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 9-isoquinolin-1-yl-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-isoquinolin-1-yl-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID66723598
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name9-isoquinolin-1-yl-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C2CCOCC2)CCC12CCCN(c1nccc3ccccc13)C2
InChIInChI=1S/C22H27N3O2/c26-21-22(10-13-25(21)18-7-14-27-15-8-18)9-3-12-24(16-22)20-19-5-2-1-4-17(19)6-11-23-20/h1-2,4-6,11,18H,3,7-10,12-16H2
InChIKeyVAMAPJSVXLKTAD-UHFFFAOYSA-N
XLogP3.23
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-isoquinolin-1-yl-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-isoquinolin-1-yl-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-isoquinolin-1-yl-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one (CID 66723598) is 9-isoquinolin-1-yl-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-isoquinolin-1-yl-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-isoquinolin-1-yl-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one is O=C1N(C2CCOCC2)CCC12CCCN(c1nccc3ccccc13)C2.
What is the InChIKey of 9-isoquinolin-1-yl-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is VAMAPJSVXLKTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c26-21-22(10-13-25(21)18-7-14-27-15-8-18)9-3-12-24(16-22)20-19-5-2-1-4-17(19)6-11-23-20/h1-2,4-6,11,18H,3,7-10,12-16H2.
What are the key properties of 9-isoquinolin-1-yl-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one?
9-isoquinolin-1-yl-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 365.48 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-isoquinolin-1-yl-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 66723598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).