6-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6,8-dihydrocyclopenta[g][1,3]benzodioxol-7-one

C21H19NO5 — CID 162812198

About 6-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6,8-dihydrocyclopenta[g][1,3]benzodioxol-7-one

6-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6,8-dihydrocyclopenta[g][1,3]benzodioxol-7-one (PubChem CID 162812198) has the molecular formula C21H19NO5 and a molecular weight of 365.39 g/mol. Its IUPAC name is 6-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6,8-dihydrocyclopenta[g][1,3]benzodioxol-7-one.

Molecular Properties

• Compound Name: 6-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6,8-dihydrocyclopenta[g][1,3]benzodioxol-7-one
• PubChem CID: 162812198
• Molecular Formula: C21H19NO5
• Molecular Weight: 365.39 g/mol
• Exact Mass: 365.13
• IUPAC Name: 6-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6,8-dihydrocyclopenta[g][1,3]benzodioxol-7-one
• SMILES: CN1CCc2cc3c(cc2C1C1C(=O)Cc2c1ccc1c2OCO1)OCO3
• InChI: InChI=1S/C21H19NO5/c1-22-5-4-11-6-17-18(26-9-25-17)8-13(11)20(22)19-12-2-3-16-21(27-10-24-16)14(12)7-15(19)23/h2-3,6,8,19-20H,4-5,7,9-10H2,1H3
• InChIKey: LHPNQYJYGLYMGX-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 57.23 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 1
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.39
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6,8-dihydrocyclopenta[g][1,3]benzodioxol-7-one?

The IUPAC name of 6-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6,8-dihydrocyclopenta[g][1,3]benzodioxol-7-one (CID 162812198) is 6-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6,8-dihydrocyclopenta[g][1,3]benzodioxol-7-one.

What is the SMILES notation for 6-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6,8-dihydrocyclopenta[g][1,3]benzodioxol-7-one?

The canonical SMILES for 6-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6,8-dihydrocyclopenta[g][1,3]benzodioxol-7-one is CN1CCc2cc3c(cc2C1C1C(=O)Cc2c1ccc1c2OCO1)OCO3.

What is the InChIKey of 6-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6,8-dihydrocyclopenta[g][1,3]benzodioxol-7-one?

The InChIKey is LHPNQYJYGLYMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO5/c1-22-5-4-11-6-17-18(26-9-25-17)8-13(11)20(22)19-12-2-3-16-21(27-10-24-16)14(12)7-15(19)23/h2-3,6,8,19-20H,4-5,7,9-10H2,1H3.

What are the key properties of 6-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6,8-dihydrocyclopenta[g][1,3]benzodioxol-7-one?

6-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6,8-dihydrocyclopenta[g][1,3]benzodioxol-7-one has a molecular weight of 365.39 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6,8-dihydrocyclopenta[g][1,3]benzodioxol-7-one is sourced from PubChem (CID 162812198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).