8-(2-phenylquinolin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane

C22H22N2O2 — CID 90461235

IUPAC8-(2-phenylquinolin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESc1ccc(-c2cc(N3CCC4(CC3)OCCO4)c3ccccc3n2)cc1
InChIInChI=1S/C22H22N2O2/c1-2-6-17(7-3-1)20-16-21(18-8-4-5-9-19(18)23-20)24-12-10-22(11-13-24)25-14-15-26-22/h1-9,16H,10-15H2
InChIKeyXRDGXFYDYXNGLD-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.25
Rot. Bonds2

About 8-(2-phenylquinolin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane

8-(2-phenylquinolin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 90461235) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 8-(2-phenylquinolin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(2-phenylquinolin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID90461235
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name8-(2-phenylquinolin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESc1ccc(-c2cc(N3CCC4(CC3)OCCO4)c3ccccc3n2)cc1
InChIInChI=1S/C22H22N2O2/c1-2-6-17(7-3-1)20-16-21(18-8-4-5-9-19(18)23-20)24-12-10-22(11-13-24)25-14-15-26-22/h1-9,16H,10-15H2
InChIKeyXRDGXFYDYXNGLD-UHFFFAOYSA-N
XLogP4.25
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2-phenylquinolin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(2-phenylquinolin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane (CID 90461235) is 8-(2-phenylquinolin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(2-phenylquinolin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(2-phenylquinolin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane is c1ccc(-c2cc(N3CCC4(CC3)OCCO4)c3ccccc3n2)cc1.
What is the InChIKey of 8-(2-phenylquinolin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is XRDGXFYDYXNGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-2-6-17(7-3-1)20-16-21(18-8-4-5-9-19(18)23-20)24-12-10-22(11-13-24)25-14-15-26-22/h1-9,16H,10-15H2.
What are the key properties of 8-(2-phenylquinolin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
8-(2-phenylquinolin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 346.43 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-phenylquinolin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 90461235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).