[8-(3-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizin-10-yl] hydrogen carbonate

C18H12FNO4S — CID 70352147

IUPAC[8-(3-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizin-10-yl] hydrogen carbonate
SMILESO=C(O)Oc1cc(-c2cccc(F)c2)c(=O)n2c1-c1sccc1CC2
InChIInChI=1S/C18H12FNO4S/c19-12-3-1-2-11(8-12)13-9-14(24-18(22)23)15-16-10(5-7-25-16)4-6-20(15)17(13)21/h1-3,5,7-9H,4,6H2,(H,22,23)
InChIKeySMMVZHXMRBEQOM-UHFFFAOYSA-N
MW357.36 g/mol
LogP4.00
Rot. Bonds2

About [8-(3-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizin-10-yl] hydrogen carbonate

[8-(3-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizin-10-yl] hydrogen carbonate (PubChem CID 70352147) has the molecular formula C18H12FNO4S and a molecular weight of 357.36 g/mol. Its IUPAC name is [8-(3-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizin-10-yl] hydrogen carbonate.

Molecular Properties

Compound Name[8-(3-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizin-10-yl] hydrogen carbonate
PubChem CID70352147
Molecular FormulaC18H12FNO4S
Molecular Weight357.36 g/mol
Exact Mass357.05
IUPAC Name[8-(3-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizin-10-yl] hydrogen carbonate
SMILESO=C(O)Oc1cc(-c2cccc(F)c2)c(=O)n2c1-c1sccc1CC2
InChIInChI=1S/C18H12FNO4S/c19-12-3-1-2-11(8-12)13-9-14(24-18(22)23)15-16-10(5-7-25-16)4-6-20(15)17(13)21/h1-3,5,7-9H,4,6H2,(H,22,23)
InChIKeySMMVZHXMRBEQOM-UHFFFAOYSA-N
XLogP4.00
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [8-(3-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizin-10-yl] hydrogen carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [8-(3-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizin-10-yl] hydrogen carbonate?
The IUPAC name of [8-(3-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizin-10-yl] hydrogen carbonate (CID 70352147) is [8-(3-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizin-10-yl] hydrogen carbonate.
What is the SMILES notation for [8-(3-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizin-10-yl] hydrogen carbonate?
The canonical SMILES for [8-(3-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizin-10-yl] hydrogen carbonate is O=C(O)Oc1cc(-c2cccc(F)c2)c(=O)n2c1-c1sccc1CC2.
What is the InChIKey of [8-(3-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizin-10-yl] hydrogen carbonate?
The InChIKey is SMMVZHXMRBEQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FNO4S/c19-12-3-1-2-11(8-12)13-9-14(24-18(22)23)15-16-10(5-7-25-16)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]quinolizin-10-yl] hydrogen carbonate?
[8-(3-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizin-10-yl] hydrogen carbonate has a molecular weight of 357.36 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(3-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizin-10-yl] hydrogen carbonate is sourced from PubChem (CID 70352147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).