6-(3-methylazetidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline

C13H18N2O — CID 115075316

IUPAC6-(3-methylazetidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline
SMILESCC1(Oc2ccc3c(c2)CCCN3)CNC1
InChIInChI=1S/C13H18N2O/c1-13(8-14-9-13)16-11-4-5-12-10(7-11)3-2-6-15-12/h4-5,7,14-15H,2-3,6,8-9H2,1H3
InChIKeyYODHUMFUFZFUKZ-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.79
Rot. Bonds2

About 6-(3-methylazetidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline

6-(3-methylazetidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline (PubChem CID 115075316) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 6-(3-methylazetidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-(3-methylazetidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline
PubChem CID115075316
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name6-(3-methylazetidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline
SMILESCC1(Oc2ccc3c(c2)CCCN3)CNC1
InChIInChI=1S/C13H18N2O/c1-13(8-14-9-13)16-11-4-5-12-10(7-11)3-2-6-15-12/h4-5,7,14-15H,2-3,6,8-9H2,1H3
InChIKeyYODHUMFUFZFUKZ-UHFFFAOYSA-N
XLogP1.79
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(3-methylazetidin-3-yl)oxy-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

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylazetidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-(3-methylazetidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline (CID 115075316) is 6-(3-methylazetidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-(3-methylazetidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-(3-methylazetidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline is CC1(Oc2ccc3c(c2)CCCN3)CNC1.
What is the InChIKey of 6-(3-methylazetidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline?
The InChIKey is YODHUMFUFZFUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-13(8-14-9-13)16-11-4-5-12-10(7-11)3-2-6-15-12/h4-5,7,14-15H,2-3,6,8-9H2,1H3.
What are the key properties of 6-(3-methylazetidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline?
6-(3-methylazetidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline has a molecular weight of 218.30 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylazetidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 115075316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).