6-selenophen-2-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one

C14H9NO3Se — CID 56934048

IUPAC6-selenophen-2-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one
SMILESO=c1cc(-c2ccc[se]2)[nH]c2cc3c(cc12)OCO3
InChIInChI=1S/C14H9NO3Se/c16-11-5-10(14-2-1-3-19-14)15-9-6-13-12(4-8(9)11)17-7-18-13/h1-6H,7H2,(H,15,16)
InChIKeyKTGVSKVBGKXLGC-UHFFFAOYSA-N
MW318.19 g/mol
LogP1.98
Rot. Bonds1

About 6-selenophen-2-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one

6-selenophen-2-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one (PubChem CID 56934048) has the molecular formula C14H9NO3Se and a molecular weight of 318.19 g/mol. Its IUPAC name is 6-selenophen-2-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one.

Molecular Properties

Compound Name6-selenophen-2-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one
PubChem CID56934048
Molecular FormulaC14H9NO3Se
Molecular Weight318.19 g/mol
Exact Mass318.97
IUPAC Name6-selenophen-2-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one
SMILESO=c1cc(-c2ccc[se]2)[nH]c2cc3c(cc12)OCO3
InChIInChI=1S/C14H9NO3Se/c16-11-5-10(14-2-1-3-19-14)15-9-6-13-12(4-8(9)11)17-7-18-13/h1-6H,7H2,(H,15,16)
InChIKeyKTGVSKVBGKXLGC-UHFFFAOYSA-N
XLogP1.98
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-selenophen-2-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one?
The IUPAC name of 6-selenophen-2-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one (CID 56934048) is 6-selenophen-2-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one.
What is the SMILES notation for 6-selenophen-2-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one?
The canonical SMILES for 6-selenophen-2-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one is O=c1cc(-c2ccc[se]2)[nH]c2cc3c(cc12)OCO3.
What is the InChIKey of 6-selenophen-2-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one?
The InChIKey is KTGVSKVBGKXLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO3Se/c16-11-5-10(14-2-1-3-19-14)15-9-6-13-12(4-8(9)11)17-7-18-13/h1-6H,7H2,(H,15,16).
What are the key properties of 6-selenophen-2-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one?
6-selenophen-2-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one has a molecular weight of 318.19 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-selenophen-2-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one is sourced from PubChem (CID 56934048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).