6-ethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride

C12H16ClNO2 — CID 2752336

IUPAC6-ethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride
SMILESCCN1CCc2cc3c(cc2C1)OCO3.Cl
InChIInChI=1S/C12H15NO2.ClH/c1-2-13-4-3-9-5-11-12(15-8-14-11)6-10(9)7-13;/h5-6H,2-4,7-8H2,1H3;1H
InChIKeyLCUXFSLQGVYPRG-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.22
Rot. Bonds1

About 6-ethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride

6-ethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride (PubChem CID 2752336) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 6-ethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride.

Molecular Properties

Compound Name6-ethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride
PubChem CID2752336
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name6-ethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride
SMILESCCN1CCc2cc3c(cc2C1)OCO3.Cl
InChIInChI=1S/C12H15NO2.ClH/c1-2-13-4-3-9-5-11-12(15-8-14-11)6-10(9)7-13;/h5-6H,2-4,7-8H2,1H3;1H
InChIKeyLCUXFSLQGVYPRG-UHFFFAOYSA-N
XLogP2.22
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride?
The IUPAC name of 6-ethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride (CID 2752336) is 6-ethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride.
What is the SMILES notation for 6-ethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride?
The canonical SMILES for 6-ethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride is CCN1CCc2cc3c(cc2C1)OCO3.Cl.
What is the InChIKey of 6-ethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride?
The InChIKey is LCUXFSLQGVYPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2.ClH/c1-2-13-4-3-9-5-11-12(15-8-14-11)6-10(9)7-13;/h5-6H,2-4,7-8H2,1H3;1H.
What are the key properties of 6-ethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride?
6-ethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride has a molecular weight of 241.72 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride is sourced from PubChem (CID 2752336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).