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

C18H12FNO3S — CID 150715006

IUPAC8-(2-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2F)c(=O)n2c1-c1sccc1CC2
InChIInChI=1S/C18H12FNO3S/c19-14-4-2-1-3-11(14)12-9-13(18(22)23)15-16-10(6-8-24-16)5-7-20(15)17(12)21/h1-4,6,8-9H,5,7H2,(H,22,23)
InChIKeyJORLWOVGFARZBM-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.64
Rot. Bonds2

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

8-(2-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylic acid (PubChem CID 150715006) has the molecular formula C18H12FNO3S and a molecular weight of 341.36 g/mol. Its IUPAC name is 8-(2-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylic acid.

Molecular Properties

Compound Name8-(2-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylic acid
PubChem CID150715006
Molecular FormulaC18H12FNO3S
Molecular Weight341.36 g/mol
Exact Mass341.05
IUPAC Name8-(2-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2F)c(=O)n2c1-c1sccc1CC2
InChIInChI=1S/C18H12FNO3S/c19-14-4-2-1-3-11(14)12-9-13(18(22)23)15-16-10(6-8-24-16)5-7-20(15)17(12)21/h1-4,6,8-9H,5,7H2,(H,22,23)
InChIKeyJORLWOVGFARZBM-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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Related Compounds

5-(4-Fluorobenzoyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylic acid
CID 82369275
7-(4-Fluorophenyl)-5-methyl-4-oxothieno[3,2-c]pyridine-6-carboxylic acid
CID 10518523
4-(4-Fluorophenyl)-6-methyl-7-oxothieno[2,3-c]pyridine-5-carboxylic acid
CID 10614368
(E)-3-[2-fluoro-4-[4-[[methyl(nonanoyl)amino]methyl]thiophen-2-yl]phenyl]prop-2-enoic acid
CID 11495722
Methyl 8-(3-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate
CID 14770029
[8-(3-Fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizin-10-yl] methyl carbonate
CID 17993308
4,5-dihydro-7-oxo-8-(m-fluorophenyl)-7H-thieno[2,3-a]quinolizine-10-carboxylic acid
CID 19020416
tert-butyl 8-(m-fluorophenyl)-4,5-dihydro-7-oxo-7H-thieno[2,3-a]quinolizine-10-carboxylate
CID 19020443
10-acetyl-4,5-dihydro-8-(m-fluorophenyl)7H-thieno[2,3-a]quinolizin-7-one
CID 19020483
8-(3-Fluorophenyl)-10-(morpholine-4-carbonyl)-4,5-dihydrothieno[2,3-a]quinolizin-7-one
CID 19020492
3-[2-Fluoro-4-[4-[[methyl(nonanoyl)amino]methyl]thiophen-2-yl]phenyl]prop-2-enoic acid
CID 66591347
6-(3,4-Difluorobenzoyl)-4,5-dihydrothieno[2,3-d]azepine-8-carboxylic acid
CID 69564764

Frequently Asked Questions

What is the IUPAC name of 8-(2-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylic acid?
The IUPAC name of 8-(2-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylic acid (CID 150715006) is 8-(2-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylic acid.
What is the SMILES notation for 8-(2-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylic acid?
The canonical SMILES for 8-(2-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylic acid is O=C(O)c1cc(-c2ccccc2F)c(=O)n2c1-c1sccc1CC2.
What is the InChIKey of 8-(2-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylic acid?
The InChIKey is JORLWOVGFARZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FNO3S/c19-14-4-2-1-3-11(14)12-9-13(18(22)23)15-16-10(6-8-24-16)5-7-20(15)17(12)21/h1-4,6,8-9H,5,7H2,(H,22,23).
What are the key properties of 8-(2-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylic acid?
8-(2-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-(2-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylic acid is sourced from PubChem (CID 150715006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).