6-(2-phenylethyl)-8H-[1,3]dioxolo[4,5-g]isoquinoline-5,7-dione

C18H15NO4 — CID 134830941

IUPAC6-(2-phenylethyl)-8H-[1,3]dioxolo[4,5-g]isoquinoline-5,7-dione
SMILESO=C1Cc2cc3c(cc2C(=O)N1CCc1ccccc1)OCO3
InChIInChI=1S/C18H15NO4/c20-17-9-13-8-15-16(23-11-22-15)10-14(13)18(21)19(17)7-6-12-4-2-1-3-5-12/h1-5,8,10H,6-7,9,11H2
InChIKeyWRPHWYHAKFGTLI-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.18
Rot. Bonds3

About 6-(2-phenylethyl)-8H-[1,3]dioxolo[4,5-g]isoquinoline-5,7-dione

6-(2-phenylethyl)-8H-[1,3]dioxolo[4,5-g]isoquinoline-5,7-dione (PubChem CID 134830941) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is 6-(2-phenylethyl)-8H-[1,3]dioxolo[4,5-g]isoquinoline-5,7-dione.

Molecular Properties

Compound Name6-(2-phenylethyl)-8H-[1,3]dioxolo[4,5-g]isoquinoline-5,7-dione
PubChem CID134830941
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name6-(2-phenylethyl)-8H-[1,3]dioxolo[4,5-g]isoquinoline-5,7-dione
SMILESO=C1Cc2cc3c(cc2C(=O)N1CCc1ccccc1)OCO3
InChIInChI=1S/C18H15NO4/c20-17-9-13-8-15-16(23-11-22-15)10-14(13)18(21)19(17)7-6-12-4-2-1-3-5-12/h1-5,8,10H,6-7,9,11H2
InChIKeyWRPHWYHAKFGTLI-UHFFFAOYSA-N
XLogP2.18
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylethyl)-8H-[1,3]dioxolo[4,5-g]isoquinoline-5,7-dione?
The IUPAC name of 6-(2-phenylethyl)-8H-[1,3]dioxolo[4,5-g]isoquinoline-5,7-dione (CID 134830941) is 6-(2-phenylethyl)-8H-[1,3]dioxolo[4,5-g]isoquinoline-5,7-dione.
What is the SMILES notation for 6-(2-phenylethyl)-8H-[1,3]dioxolo[4,5-g]isoquinoline-5,7-dione?
The canonical SMILES for 6-(2-phenylethyl)-8H-[1,3]dioxolo[4,5-g]isoquinoline-5,7-dione is O=C1Cc2cc3c(cc2C(=O)N1CCc1ccccc1)OCO3.
What is the InChIKey of 6-(2-phenylethyl)-8H-[1,3]dioxolo[4,5-g]isoquinoline-5,7-dione?
The InChIKey is WRPHWYHAKFGTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c20-17-9-13-8-15-16(23-11-22-15)10-14(13)18(21)19(17)7-6-12-4-2-1-3-5-12/h1-5,8,10H,6-7,9,11H2.
What are the key properties of 6-(2-phenylethyl)-8H-[1,3]dioxolo[4,5-g]isoquinoline-5,7-dione?
6-(2-phenylethyl)-8H-[1,3]dioxolo[4,5-g]isoquinoline-5,7-dione has a molecular weight of 309.32 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylethyl)-8H-[1,3]dioxolo[4,5-g]isoquinoline-5,7-dione is sourced from PubChem (CID 134830941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).