8-(3-fluorophenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one

C16H10FNO3 — CID 71770295

IUPAC8-(3-fluorophenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESO=c1cc(-c2cccc(F)c2)c2cc3c(cc2[nH]1)OCO3
InChIInChI=1S/C16H10FNO3/c17-10-3-1-2-9(4-10)11-6-16(19)18-13-7-15-14(5-12(11)13)20-8-21-15/h1-7H,8H2,(H,18,19)
InChIKeyCHWHQUFUXUWSLL-UHFFFAOYSA-N
MW283.26 g/mol
LogP3.06
Rot. Bonds1

About 8-(3-fluorophenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one

8-(3-fluorophenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (PubChem CID 71770295) has the molecular formula C16H10FNO3 and a molecular weight of 283.26 g/mol. Its IUPAC name is 8-(3-fluorophenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.

Molecular Properties

Compound Name8-(3-fluorophenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
PubChem CID71770295
Molecular FormulaC16H10FNO3
Molecular Weight283.26 g/mol
Exact Mass283.06
IUPAC Name8-(3-fluorophenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESO=c1cc(-c2cccc(F)c2)c2cc3c(cc2[nH]1)OCO3
InChIInChI=1S/C16H10FNO3/c17-10-3-1-2-9(4-10)11-6-16(19)18-13-7-15-14(5-12(11)13)20-8-21-15/h1-7H,8H2,(H,18,19)
InChIKeyCHWHQUFUXUWSLL-UHFFFAOYSA-N
XLogP3.06
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(3-fluorophenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The IUPAC name of 8-(3-fluorophenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (CID 71770295) is 8-(3-fluorophenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.
What is the SMILES notation for 8-(3-fluorophenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The canonical SMILES for 8-(3-fluorophenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is O=c1cc(-c2cccc(F)c2)c2cc3c(cc2[nH]1)OCO3.
What is the InChIKey of 8-(3-fluorophenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The InChIKey is CHWHQUFUXUWSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNO3/c17-10-3-1-2-9(4-10)11-6-16(19)18-13-7-15-14(5-12(11)13)20-8-21-15/h1-7H,8H2,(H,18,19).
What are the key properties of 8-(3-fluorophenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
8-(3-fluorophenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one has a molecular weight of 283.26 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-fluorophenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is sourced from PubChem (CID 71770295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).