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

C19H14FNO3S — CID 14770029

IUPACmethyl 8-(3-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(F)c2)c(=O)n2c1-c1sccc1CC2
InChIInChI=1S/C19H14FNO3S/c1-24-19(23)15-10-14(12-3-2-4-13(20)9-12)18(22)21-7-5-11-6-8-25-17(11)16(15)21/h2-4,6,8-10H,5,7H2,1H3
InChIKeyYRAWUSBKKNGVMB-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.73
Rot. Bonds2

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

methyl 8-(3-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate (PubChem CID 14770029) has the molecular formula C19H14FNO3S and a molecular weight of 355.39 g/mol. Its IUPAC name is methyl 8-(3-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate.

Molecular Properties

Compound Namemethyl 8-(3-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate
PubChem CID14770029
Molecular FormulaC19H14FNO3S
Molecular Weight355.39 g/mol
Exact Mass355.07
IUPAC Namemethyl 8-(3-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(F)c2)c(=O)n2c1-c1sccc1CC2
InChIInChI=1S/C19H14FNO3S/c1-24-19(23)15-10-14(12-3-2-4-13(20)9-12)18(22)21-7-5-11-6-8-25-17(11)16(15)21/h2-4,6,8-10H,5,7H2,1H3
InChIKeyYRAWUSBKKNGVMB-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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Related Compounds

Ethyl 7-(4-fluorophenyl)-5-methyl-4-oxothieno[3,4-c]pyridine-6-carboxylate
CID 10496713
Ethyl 4-(4-fluorophenyl)-6-methyl-7-oxothieno[2,3-c]pyridine-5-carboxylate
CID 10687943
Ethyl 7-(4-fluorophenyl)-5-methyl-4-oxothieno[3,2-c]pyridine-6-carboxylate
CID 10758881
6-(3,4-difluoro-benzoyl)-5,6-dihydro-4H-thieno[2,3-D]azepine-8-carboxylic acid ethyl ester
CID 11428459
[8-(3-Fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizin-10-yl] methyl carbonate
CID 17993308
Methyl 11-oxo-12-[3-(trifluoromethyl)phenyl]-3,7-dithia-10-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,12-tetraene-14-carboxylate
CID 19020394
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
[8-(3-Fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizin-10-yl] hydrogen carbonate
CID 70352147
Tert-butyl [8-(3-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizin-10-yl] carbonate
CID 70352670

Frequently Asked Questions

What is the IUPAC name of methyl 8-(3-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate?
The IUPAC name of methyl 8-(3-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate (CID 14770029) is methyl 8-(3-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate.
What is the SMILES notation for methyl 8-(3-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate?
The canonical SMILES for methyl 8-(3-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate is COC(=O)c1cc(-c2cccc(F)c2)c(=O)n2c1-c1sccc1CC2.
What is the InChIKey of methyl 8-(3-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate?
The InChIKey is YRAWUSBKKNGVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO3S/c1-24-19(23)15-10-14(12-3-2-4-13(20)9-12)18(22)21-7-5-11-6-8-25-17(11)16(15)21/h2-4,6,8-10H,5,7H2,1H3.
What are the key properties of methyl 8-(3-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate?
methyl 8-(3-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-(3-fluorophenyl)-7-oxo-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate is sourced from PubChem (CID 14770029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).