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

C19H14FNO3S — CID 174256329

IUPACmethyl 8-(4-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(F)cc2)c(=O)n2c1-c1sccc1CC2
InChIInChI=1S/C19H14FNO3S/c1-24-19(23)15-10-14(11-2-4-13(20)5-3-11)18(22)21-8-6-12-7-9-25-17(12)16(15)21/h2-5,7,9-10H,6,8H2,1H3
InChIKeyOGOTVIHHOUPADI-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.73
Rot. Bonds2

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

methyl 8-(4-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate (PubChem CID 174256329) has the molecular formula C19H14FNO3S and a molecular weight of 355.39 g/mol. Its IUPAC name is methyl 8-(4-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate.

Molecular Properties

Compound Namemethyl 8-(4-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate
PubChem CID174256329
Molecular FormulaC19H14FNO3S
Molecular Weight355.39 g/mol
Exact Mass355.07
IUPAC Namemethyl 8-(4-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(F)cc2)c(=O)n2c1-c1sccc1CC2
InChIInChI=1S/C19H14FNO3S/c1-24-19(23)15-10-14(11-2-4-13(20)5-3-11)18(22)21-8-6-12-7-9-25-17(12)16(15)21/h2-5,7,9-10H,6,8H2,1H3
InChIKeyOGOTVIHHOUPADI-UHFFFAOYSA-N
XLogP3.73
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 8-(4-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate?
The IUPAC name of methyl 8-(4-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate (CID 174256329) is methyl 8-(4-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate.
What is the SMILES notation for methyl 8-(4-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate?
The canonical SMILES for methyl 8-(4-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate is COC(=O)c1cc(-c2ccc(F)cc2)c(=O)n2c1-c1sccc1CC2.
What is the InChIKey of methyl 8-(4-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate?
The InChIKey is OGOTVIHHOUPADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO3S/c1-24-19(23)15-10-14(11-2-4-13(20)5-3-11)18(22)21-8-6-12-7-9-25-17(12)16(15)21/h2-5,7,9-10H,6,8H2,1H3.
What are the key properties of methyl 8-(4-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate?
methyl 8-(4-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate has a molecular weight of 355.39 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-(4-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate is sourced from PubChem (CID 174256329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).