6-(azetidin-3-yl)-7-methyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline

C15H20N2O2 — CID 116995851

IUPAC6-(azetidin-3-yl)-7-methyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline
SMILESCN1CCc2cc3c(cc2C1C1CNC1)OCCO3
InChIInChI=1S/C15H20N2O2/c1-17-3-2-10-6-13-14(19-5-4-18-13)7-12(10)15(17)11-8-16-9-11/h6-7,11,15-16H,2-5,8-9H2,1H3
InChIKeyBYXNOQCHFAQJJV-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.21
Rot. Bonds1

About 6-(azetidin-3-yl)-7-methyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline

6-(azetidin-3-yl)-7-methyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline (PubChem CID 116995851) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 6-(azetidin-3-yl)-7-methyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline.

Molecular Properties

Compound Name6-(azetidin-3-yl)-7-methyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline
PubChem CID116995851
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name6-(azetidin-3-yl)-7-methyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline
SMILESCN1CCc2cc3c(cc2C1C1CNC1)OCCO3
InChIInChI=1S/C15H20N2O2/c1-17-3-2-10-6-13-14(19-5-4-18-13)7-12(10)15(17)11-8-16-9-11/h6-7,11,15-16H,2-5,8-9H2,1H3
InChIKeyBYXNOQCHFAQJJV-UHFFFAOYSA-N
XLogP1.21
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(azetidin-3-yl)-7-methyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline 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-(azetidin-3-yl)-7-methyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline?
The IUPAC name of 6-(azetidin-3-yl)-7-methyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline (CID 116995851) is 6-(azetidin-3-yl)-7-methyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline.
What is the SMILES notation for 6-(azetidin-3-yl)-7-methyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline?
The canonical SMILES for 6-(azetidin-3-yl)-7-methyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline is CN1CCc2cc3c(cc2C1C1CNC1)OCCO3.
What is the InChIKey of 6-(azetidin-3-yl)-7-methyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline?
The InChIKey is BYXNOQCHFAQJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-17-3-2-10-6-13-14(19-5-4-18-13)7-12(10)15(17)11-8-16-9-11/h6-7,11,15-16H,2-5,8-9H2,1H3.
What are the key properties of 6-(azetidin-3-yl)-7-methyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline?
6-(azetidin-3-yl)-7-methyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline has a molecular weight of 260.34 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azetidin-3-yl)-7-methyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline is sourced from PubChem (CID 116995851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).