8-isoquinolin-4-yl-2-methyl-2,8-diazaspiro[4.5]decan-3-one

C18H21N3O — CID 134141967

IUPAC8-isoquinolin-4-yl-2-methyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCN1CC2(CCN(c3cncc4ccccc34)CC2)CC1=O
InChIInChI=1S/C18H21N3O/c1-20-13-18(10-17(20)22)6-8-21(9-7-18)16-12-19-11-14-4-2-3-5-15(14)16/h2-5,11-12H,6-10,13H2,1H3
InChIKeyQYQQAZRYPIKPEC-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.68
Rot. Bonds1

About 8-isoquinolin-4-yl-2-methyl-2,8-diazaspiro[4.5]decan-3-one

8-isoquinolin-4-yl-2-methyl-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 134141967) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 8-isoquinolin-4-yl-2-methyl-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-isoquinolin-4-yl-2-methyl-2,8-diazaspiro[4.5]decan-3-one
PubChem CID134141967
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name8-isoquinolin-4-yl-2-methyl-2,8-diazaspiro[4.5]decan-3-one
SMILESCN1CC2(CCN(c3cncc4ccccc34)CC2)CC1=O
InChIInChI=1S/C18H21N3O/c1-20-13-18(10-17(20)22)6-8-21(9-7-18)16-12-19-11-14-4-2-3-5-15(14)16/h2-5,11-12H,6-10,13H2,1H3
InChIKeyQYQQAZRYPIKPEC-UHFFFAOYSA-N
XLogP2.68
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-isoquinolin-4-yl-2-methyl-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-isoquinolin-4-yl-2-methyl-2,8-diazaspiro[4.5]decan-3-one (CID 134141967) is 8-isoquinolin-4-yl-2-methyl-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-isoquinolin-4-yl-2-methyl-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-isoquinolin-4-yl-2-methyl-2,8-diazaspiro[4.5]decan-3-one is CN1CC2(CCN(c3cncc4ccccc34)CC2)CC1=O.
What is the InChIKey of 8-isoquinolin-4-yl-2-methyl-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is QYQQAZRYPIKPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-20-13-18(10-17(20)22)6-8-21(9-7-18)16-12-19-11-14-4-2-3-5-15(14)16/h2-5,11-12H,6-10,13H2,1H3.
What are the key properties of 8-isoquinolin-4-yl-2-methyl-2,8-diazaspiro[4.5]decan-3-one?
8-isoquinolin-4-yl-2-methyl-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 295.39 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-isoquinolin-4-yl-2-methyl-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 134141967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).