8-isoquinolin-4-yl-1-oxa-8-azaspiro[4.5]decane

C17H20N2O — CID 134143092

IUPAC8-isoquinolin-4-yl-1-oxa-8-azaspiro[4.5]decane
SMILESc1ccc2c(N3CCC4(CCCO4)CC3)cncc2c1
InChIInChI=1S/C17H20N2O/c1-2-5-15-14(4-1)12-18-13-16(15)19-9-7-17(8-10-19)6-3-11-20-17/h1-2,4-5,12-13H,3,6-11H2
InChIKeyWXLPPFKUYINVII-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.38
Rot. Bonds1

About 8-isoquinolin-4-yl-1-oxa-8-azaspiro[4.5]decane

8-isoquinolin-4-yl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 134143092) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 8-isoquinolin-4-yl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-isoquinolin-4-yl-1-oxa-8-azaspiro[4.5]decane
PubChem CID134143092
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name8-isoquinolin-4-yl-1-oxa-8-azaspiro[4.5]decane
SMILESc1ccc2c(N3CCC4(CCCO4)CC3)cncc2c1
InChIInChI=1S/C17H20N2O/c1-2-5-15-14(4-1)12-18-13-16(15)19-9-7-17(8-10-19)6-3-11-20-17/h1-2,4-5,12-13H,3,6-11H2
InChIKeyWXLPPFKUYINVII-UHFFFAOYSA-N
XLogP3.38
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.38
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-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-isoquinolin-4-yl-1-oxa-8-azaspiro[4.5]decane (CID 134143092) is 8-isoquinolin-4-yl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-isoquinolin-4-yl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-isoquinolin-4-yl-1-oxa-8-azaspiro[4.5]decane is c1ccc2c(N3CCC4(CCCO4)CC3)cncc2c1.
What is the InChIKey of 8-isoquinolin-4-yl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is WXLPPFKUYINVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-2-5-15-14(4-1)12-18-13-16(15)19-9-7-17(8-10-19)6-3-11-20-17/h1-2,4-5,12-13H,3,6-11H2.
What are the key properties of 8-isoquinolin-4-yl-1-oxa-8-azaspiro[4.5]decane?
8-isoquinolin-4-yl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 268.36 g/mol, XLogP of 3.38, 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-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 134143092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).