6-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline

C16H24N2O — CID 115075288

IUPAC6-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
SMILESCCN1CC(C)(COc2ccc3c(c2)CCCN3)C1
InChIInChI=1S/C16H24N2O/c1-3-18-10-16(2,11-18)12-19-14-6-7-15-13(9-14)5-4-8-17-15/h6-7,9,17H,3-5,8,10-12H2,1-2H3
InChIKeyJOPDCIKDOSTLTK-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.77
Rot. Bonds4

About 6-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline

6-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline (PubChem CID 115075288) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 6-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
PubChem CID115075288
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name6-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
SMILESCCN1CC(C)(COc2ccc3c(c2)CCCN3)C1
InChIInChI=1S/C16H24N2O/c1-3-18-10-16(2,11-18)12-19-14-6-7-15-13(9-14)5-4-8-17-15/h6-7,9,17H,3-5,8,10-12H2,1-2H3
InChIKeyJOPDCIKDOSTLTK-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

6-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076372
7-[(1,3-dimethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075463
4-methyl-4-(1,2,3,4-tetrahydroquinolin-6-yloxymethyl)thiane 1,1-dioxide
CID 115075339
3-methyl-3-(1,2,3,4-tetrahydroquinolin-6-yloxymethyl)thiane 1,1-dioxide
CID 115075355
6-[(1-ethyl-3-methylpyrrolidin-3-yl)methoxy]-2,3-dihydro-1H-indole
CID 115074784
5-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075103
7-[(1,3-dimethylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075538
6-[(4,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075304
7-[(1,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075481
5-[(1,2-dimethylpyrrolidin-2-yl)methoxy]-2,3-dihydro-1H-indole
CID 115074531
7-[(3-methyl-1-propan-2-ylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075542
6-(3-methylazetidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075316

Frequently Asked Questions

What is the IUPAC name of 6-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline (CID 115075288) is 6-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline is CCN1CC(C)(COc2ccc3c(c2)CCCN3)C1.
What is the InChIKey of 6-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline?
The InChIKey is JOPDCIKDOSTLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-18-10-16(2,11-18)12-19-14-6-7-15-13(9-14)5-4-8-17-15/h6-7,9,17H,3-5,8,10-12H2,1-2H3.
What are the key properties of 6-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline?
6-[(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 6-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 115075288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).