5-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline

C16H24N2O — CID 115075103

IUPAC5-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
SMILESCCN1CC(C)(COc2cccc3c2CCCN3)C1
InChIInChI=1S/C16H24N2O/c1-3-18-10-16(2,11-18)12-19-15-8-4-7-14-13(15)6-5-9-17-14/h4,7-8,17H,3,5-6,9-12H2,1-2H3
InChIKeyQLLAXMZRSYCALG-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.77
Rot. Bonds4

About 5-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline

5-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline (PubChem CID 115075103) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 5-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
PubChem CID115075103
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name5-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
SMILESCCN1CC(C)(COc2cccc3c2CCCN3)C1
InChIInChI=1S/C16H24N2O/c1-3-18-10-16(2,11-18)12-19-15-8-4-7-14-13(15)6-5-9-17-14/h4,7-8,17H,3,5-6,9-12H2,1-2H3
InChIKeyQLLAXMZRSYCALG-UHFFFAOYSA-N
XLogP2.77
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline (CID 115075103) is 5-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline is CCN1CC(C)(COc2cccc3c2CCCN3)C1.
What is the InChIKey of 5-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline?
The InChIKey is QLLAXMZRSYCALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-18-10-16(2,11-18)12-19-15-8-4-7-14-13(15)6-5-9-17-14/h4,7-8,17H,3,5-6,9-12H2,1-2H3.
What are the key properties of 5-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline?
5-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline has a molecular weight of 260.38 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 115075103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).