6-(4-fluorophenyl)-6,7-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-8-one

C16H12FNO3 — CID 10803041

IUPAC6-(4-fluorophenyl)-6,7-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-8-one
SMILESO=C1CC(c2ccc(F)cc2)Nc2cc3c(cc21)OCO3
InChIInChI=1S/C16H12FNO3/c17-10-3-1-9(2-4-10)12-6-14(19)11-5-15-16(21-8-20-15)7-13(11)18-12/h1-5,7,12,18H,6,8H2
InChIKeyKCSSFELGZDEDKB-UHFFFAOYSA-N
MW285.27 g/mol
LogP3.29
Rot. Bonds1

About 6-(4-fluorophenyl)-6,7-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-8-one

6-(4-fluorophenyl)-6,7-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-8-one (PubChem CID 10803041) has the molecular formula C16H12FNO3 and a molecular weight of 285.27 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-6,7-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-8-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-6,7-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-8-one
PubChem CID10803041
Molecular FormulaC16H12FNO3
Molecular Weight285.27 g/mol
Exact Mass285.08
IUPAC Name6-(4-fluorophenyl)-6,7-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-8-one
SMILESO=C1CC(c2ccc(F)cc2)Nc2cc3c(cc21)OCO3
InChIInChI=1S/C16H12FNO3/c17-10-3-1-9(2-4-10)12-6-14(19)11-5-15-16(21-8-20-15)7-13(11)18-12/h1-5,7,12,18H,6,8H2
InChIKeyKCSSFELGZDEDKB-UHFFFAOYSA-N
XLogP3.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-6,7-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-8-one?
The IUPAC name of 6-(4-fluorophenyl)-6,7-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-8-one (CID 10803041) is 6-(4-fluorophenyl)-6,7-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-8-one.
What is the SMILES notation for 6-(4-fluorophenyl)-6,7-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-8-one?
The canonical SMILES for 6-(4-fluorophenyl)-6,7-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-8-one is O=C1CC(c2ccc(F)cc2)Nc2cc3c(cc21)OCO3.
What is the InChIKey of 6-(4-fluorophenyl)-6,7-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-8-one?
The InChIKey is KCSSFELGZDEDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO3/c17-10-3-1-9(2-4-10)12-6-14(19)11-5-15-16(21-8-20-15)7-13(11)18-12/h1-5,7,12,18H,6,8H2.
What are the key properties of 6-(4-fluorophenyl)-6,7-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-8-one?
6-(4-fluorophenyl)-6,7-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-8-one has a molecular weight of 285.27 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-6,7-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-8-one is sourced from PubChem (CID 10803041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).