3-(2,6-dioxaspiro[4.5]decan-9-yl)-1,2,3,4-tetrahydroquinoline

C17H23NO2 — CID 106780797

IUPAC3-(2,6-dioxaspiro[4.5]decan-9-yl)-1,2,3,4-tetrahydroquinoline
SMILESc1ccc2c(c1)CC(C1CCOC3(CCOC3)C1)CN2
InChIInChI=1S/C17H23NO2/c1-2-4-16-13(3-1)9-15(11-18-16)14-5-7-20-17(10-14)6-8-19-12-17/h1-4,14-15,18H,5-12H2
InChIKeyJINXCVZRGPRYQP-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.86
Rot. Bonds1

About 3-(2,6-dioxaspiro[4.5]decan-9-yl)-1,2,3,4-tetrahydroquinoline

3-(2,6-dioxaspiro[4.5]decan-9-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 106780797) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-(2,6-dioxaspiro[4.5]decan-9-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name3-(2,6-dioxaspiro[4.5]decan-9-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID106780797
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name3-(2,6-dioxaspiro[4.5]decan-9-yl)-1,2,3,4-tetrahydroquinoline
SMILESc1ccc2c(c1)CC(C1CCOC3(CCOC3)C1)CN2
InChIInChI=1S/C17H23NO2/c1-2-4-16-13(3-1)9-15(11-18-16)14-5-7-20-17(10-14)6-8-19-12-17/h1-4,14-15,18H,5-12H2
InChIKeyJINXCVZRGPRYQP-UHFFFAOYSA-N
XLogP2.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2,6-dioxaspiro[4.5]decan-9-yl)-1,2,3,4-tetrahydroquinoline with MolForge

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

Launch Full Analysis

Related Compounds

2-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methyl-1,2,3,4-tetrahydroquinoline
CID 106780788
2-(2,6-dioxaspiro[4.5]decan-9-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 79910044
2,3-dihydro-1H-inden-2-yl(2,6-dioxaspiro[4.5]decan-9-yl)methanone
CID 79909187
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,3-dihydro-1H-isoindole
CID 79906704
2-(1-oxaspiro[5.5]undecan-4-yl)-1,2,3,4-tetrahydroquinoline
CID 79906700
4-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)oxan-4-amine
CID 106902332
N-(oxan-4-yl)-1,2,3,4-tetrahydroquinolin-3-amine
CID 105491661
3-(3,4,5,6-tetrahydropyridazin-3-yl)-1,2,3,4-tetrahydroquinoline
CID 90720554
N-[(2-fluorophenyl)methyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 71683332
3-(2-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline
CID 106779223
9-(2-bromocyclohexyl)-2,6-dioxaspiro[4.5]decane
CID 79919559
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-phenylethanol
CID 79913271

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dioxaspiro[4.5]decan-9-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 3-(2,6-dioxaspiro[4.5]decan-9-yl)-1,2,3,4-tetrahydroquinoline (CID 106780797) is 3-(2,6-dioxaspiro[4.5]decan-9-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 3-(2,6-dioxaspiro[4.5]decan-9-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 3-(2,6-dioxaspiro[4.5]decan-9-yl)-1,2,3,4-tetrahydroquinoline is c1ccc2c(c1)CC(C1CCOC3(CCOC3)C1)CN2.
What is the InChIKey of 3-(2,6-dioxaspiro[4.5]decan-9-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is JINXCVZRGPRYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-2-4-16-13(3-1)9-15(11-18-16)14-5-7-20-17(10-14)6-8-19-12-17/h1-4,14-15,18H,5-12H2.
What are the key properties of 3-(2,6-dioxaspiro[4.5]decan-9-yl)-1,2,3,4-tetrahydroquinoline?
3-(2,6-dioxaspiro[4.5]decan-9-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 273.38 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dioxaspiro[4.5]decan-9-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106780797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).