7-(3-fluorophenyl)-8H-[1,3]dioxolo[4,5-f]quinolin-9-one

C16H10FNO3 — CID 66659114

IUPAC7-(3-fluorophenyl)-8H-[1,3]dioxolo[4,5-f]quinolin-9-one
SMILESO=C1CC(c2cccc(F)c2)=Nc2ccc3c(c21)OCO3
InChIInChI=1S/C16H10FNO3/c17-10-3-1-2-9(6-10)12-7-13(19)15-11(18-12)4-5-14-16(15)21-8-20-14/h1-6H,7-8H2
InChIKeyCSAAYMAWMGDWJK-UHFFFAOYSA-N
MW283.26 g/mol
LogP3.26
Rot. Bonds1

About 7-(3-fluorophenyl)-8H-[1,3]dioxolo[4,5-f]quinolin-9-one

7-(3-fluorophenyl)-8H-[1,3]dioxolo[4,5-f]quinolin-9-one (PubChem CID 66659114) has the molecular formula C16H10FNO3 and a molecular weight of 283.26 g/mol. Its IUPAC name is 7-(3-fluorophenyl)-8H-[1,3]dioxolo[4,5-f]quinolin-9-one.

Molecular Properties

Compound Name7-(3-fluorophenyl)-8H-[1,3]dioxolo[4,5-f]quinolin-9-one
PubChem CID66659114
Molecular FormulaC16H10FNO3
Molecular Weight283.26 g/mol
Exact Mass283.06
IUPAC Name7-(3-fluorophenyl)-8H-[1,3]dioxolo[4,5-f]quinolin-9-one
SMILESO=C1CC(c2cccc(F)c2)=Nc2ccc3c(c21)OCO3
InChIInChI=1S/C16H10FNO3/c17-10-3-1-2-9(6-10)12-7-13(19)15-11(18-12)4-5-14-16(15)21-8-20-14/h1-6H,7-8H2
InChIKeyCSAAYMAWMGDWJK-UHFFFAOYSA-N
XLogP3.26
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-bis(3-fluorophenyl)-4H-imidazole
CID 148589288
2-(3-fluorophenyl)-6-methoxy-7-phenylmethoxy-3H-quinolin-4-one
CID 66659267
5-(1,3-benzodioxol-5-yl)-3-(3-fluorophenyl)-1H-pyrazole
CID 58527204
3-(1,3-benzodioxol-5-yl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 91917216
8-(3-fluorophenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 71770295
1-(1,3-benzodioxol-5-yl)-5-(3-fluorophenyl)triazole-4-carbaldehyde
CID 94937536
3-(3-fluorophenyl)-1,5-dihydropyrazol-4-one
CID 174470166
5-fluoro-4-iodo-1,3-benzodioxole
CID 166057679
1-(1,3-benzodioxol-5-yl)ethyl 3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 75405287
1-[(3S)-3-(1,3-benzodioxol-5-yl)-5-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 93228105
10-(4-fluorophenyl)-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione
CID 19353296
5-(1,3-benzodioxol-4-ylmethyl)-3-(3-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 29022737

Frequently Asked Questions

What is the IUPAC name of 7-(3-fluorophenyl)-8H-[1,3]dioxolo[4,5-f]quinolin-9-one?
The IUPAC name of 7-(3-fluorophenyl)-8H-[1,3]dioxolo[4,5-f]quinolin-9-one (CID 66659114) is 7-(3-fluorophenyl)-8H-[1,3]dioxolo[4,5-f]quinolin-9-one.
What is the SMILES notation for 7-(3-fluorophenyl)-8H-[1,3]dioxolo[4,5-f]quinolin-9-one?
The canonical SMILES for 7-(3-fluorophenyl)-8H-[1,3]dioxolo[4,5-f]quinolin-9-one is O=C1CC(c2cccc(F)c2)=Nc2ccc3c(c21)OCO3.
What is the InChIKey of 7-(3-fluorophenyl)-8H-[1,3]dioxolo[4,5-f]quinolin-9-one?
The InChIKey is CSAAYMAWMGDWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNO3/c17-10-3-1-2-9(6-10)12-7-13(19)15-11(18-12)4-5-14-16(15)21-8-20-14/h1-6H,7-8H2.
What are the key properties of 7-(3-fluorophenyl)-8H-[1,3]dioxolo[4,5-f]quinolin-9-one?
7-(3-fluorophenyl)-8H-[1,3]dioxolo[4,5-f]quinolin-9-one has a molecular weight of 283.26 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluorophenyl)-8H-[1,3]dioxolo[4,5-f]quinolin-9-one is sourced from PubChem (CID 66659114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).