1-(6-quinolin-3-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)ethanone

C23H22N2O3 — CID 126473139

IUPAC1-(6-quinolin-3-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)ethanone
SMILESCC(=O)N1CCC2(CC1)OCc1cc(-c3cnc4ccccc4c3)ccc1O2
InChIInChI=1S/C23H22N2O3/c1-16(26)25-10-8-23(9-11-25)27-15-20-12-17(6-7-22(20)28-23)19-13-18-4-2-3-5-21(18)24-14-19/h2-7,12-14H,8-11,15H2,1H3
InChIKeyLIOGCYQYZOQXHU-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.15
Rot. Bonds1

About 1-(6-quinolin-3-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)ethanone

1-(6-quinolin-3-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)ethanone (PubChem CID 126473139) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 1-(6-quinolin-3-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)ethanone.

Molecular Properties

Compound Name1-(6-quinolin-3-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)ethanone
PubChem CID126473139
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name1-(6-quinolin-3-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)ethanone
SMILESCC(=O)N1CCC2(CC1)OCc1cc(-c3cnc4ccccc4c3)ccc1O2
InChIInChI=1S/C23H22N2O3/c1-16(26)25-10-8-23(9-11-25)27-15-20-12-17(6-7-22(20)28-23)19-13-18-4-2-3-5-21(18)24-14-19/h2-7,12-14H,8-11,15H2,1H3
InChIKeyLIOGCYQYZOQXHU-UHFFFAOYSA-N
XLogP4.15
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-quinolin-3-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)ethanone?
The IUPAC name of 1-(6-quinolin-3-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)ethanone (CID 126473139) is 1-(6-quinolin-3-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)ethanone.
What is the SMILES notation for 1-(6-quinolin-3-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)ethanone?
The canonical SMILES for 1-(6-quinolin-3-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)ethanone is CC(=O)N1CCC2(CC1)OCc1cc(-c3cnc4ccccc4c3)ccc1O2.
What is the InChIKey of 1-(6-quinolin-3-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)ethanone?
The InChIKey is LIOGCYQYZOQXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-16(26)25-10-8-23(9-11-25)27-15-20-12-17(6-7-22(20)28-23)19-13-18-4-2-3-5-21(18)24-14-19/h2-7,12-14H,8-11,15H2,1H3.
What are the key properties of 1-(6-quinolin-3-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)ethanone?
1-(6-quinolin-3-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)ethanone has a molecular weight of 374.44 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-quinolin-3-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-yl)ethanone is sourced from PubChem (CID 126473139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).