7-cyclopentyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline

C16H21NO2 — CID 110457257

IUPAC7-cyclopentyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline
SMILESc1c2c(cc3c1OCCO3)CN(C1CCCC1)CC2
InChIInChI=1S/C16H21NO2/c1-2-4-14(3-1)17-6-5-12-9-15-16(10-13(12)11-17)19-8-7-18-15/h9-10,14H,1-8,11H2
InChIKeyJUYVAVMTDFKDLX-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.76
Rot. Bonds1

About 7-cyclopentyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline

7-cyclopentyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline (PubChem CID 110457257) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 7-cyclopentyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline.

Molecular Properties

Compound Name7-cyclopentyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline
PubChem CID110457257
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name7-cyclopentyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline
SMILESc1c2c(cc3c1OCCO3)CN(C1CCCC1)CC2
InChIInChI=1S/C16H21NO2/c1-2-4-14(3-1)17-6-5-12-9-15-16(10-13(12)11-17)19-8-7-18-15/h9-10,14H,1-8,11H2
InChIKeyJUYVAVMTDFKDLX-UHFFFAOYSA-N
XLogP2.76
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-cyclopentyl-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 7-cyclopentyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline?
The IUPAC name of 7-cyclopentyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline (CID 110457257) is 7-cyclopentyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline.
What is the SMILES notation for 7-cyclopentyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline?
The canonical SMILES for 7-cyclopentyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline is c1c2c(cc3c1OCCO3)CN(C1CCCC1)CC2.
What is the InChIKey of 7-cyclopentyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline?
The InChIKey is JUYVAVMTDFKDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-2-4-14(3-1)17-6-5-12-9-15-16(10-13(12)11-17)19-8-7-18-15/h9-10,14H,1-8,11H2.
What are the key properties of 7-cyclopentyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline?
7-cyclopentyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline has a molecular weight of 259.35 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-3,6,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g]isoquinoline is sourced from PubChem (CID 110457257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).