8-(3-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylic acid

C18H12FNO3S — CID 19020416

IUPAC8-(3-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(F)c2)c(=O)n2c1-c1sccc1CC2
InChIInChI=1S/C18H12FNO3S/c19-12-3-1-2-11(8-12)13-9-14(18(22)23)15-16-10(5-7-24-16)4-6-20(15)17(13)21/h1-3,5,7-9H,4,6H2,(H,22,23)
InChIKeyYGBRNCGVCOIHGL-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.64
Rot. Bonds2

About 8-(3-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylic acid

8-(3-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylic acid (PubChem CID 19020416) has the molecular formula C18H12FNO3S and a molecular weight of 341.36 g/mol. Its IUPAC name is 8-(3-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylic acid.

Molecular Properties

Compound Name8-(3-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylic acid
PubChem CID19020416
Molecular FormulaC18H12FNO3S
Molecular Weight341.36 g/mol
Exact Mass341.05
IUPAC Name8-(3-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(F)c2)c(=O)n2c1-c1sccc1CC2
InChIInChI=1S/C18H12FNO3S/c19-12-3-1-2-11(8-12)13-9-14(18(22)23)15-16-10(5-7-24-16)4-6-20(15)17(13)21/h1-3,5,7-9H,4,6H2,(H,22,23)
InChIKeyYGBRNCGVCOIHGL-UHFFFAOYSA-N
XLogP3.64
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(3-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylic acid?
The IUPAC name of 8-(3-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylic acid (CID 19020416) is 8-(3-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylic acid.
What is the SMILES notation for 8-(3-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylic acid?
The canonical SMILES for 8-(3-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylic acid is O=C(O)c1cc(-c2cccc(F)c2)c(=O)n2c1-c1sccc1CC2.
What is the InChIKey of 8-(3-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylic acid?
The InChIKey is YGBRNCGVCOIHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FNO3S/c19-12-3-1-2-11(8-12)13-9-14(18(22)23)15-16-10(5-7-24-16)4-6-20(15)17(13)21/h1-3,5,7-9H,4,6H2,(H,22,23).
What are the key properties of 8-(3-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylic acid?
8-(3-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylic acid has a molecular weight of 341.36 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylic acid is sourced from PubChem (CID 19020416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).