ethyl 7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate

C20H17NO3S — CID 11142684

IUPACethyl 7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)c(=O)n2c1-c1sccc1CC2
InChIInChI=1S/C20H17NO3S/c1-2-24-20(23)16-12-15(13-6-4-3-5-7-13)19(22)21-10-8-14-9-11-25-18(14)17(16)21/h3-7,9,11-12H,2,8,10H2,1H3
InChIKeyKSIMMOLKFOFPIK-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.98
Rot. Bonds3

About ethyl 7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate

ethyl 7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate (PubChem CID 11142684) has the molecular formula C20H17NO3S and a molecular weight of 351.43 g/mol. Its IUPAC name is ethyl 7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate.

Molecular Properties

Compound Nameethyl 7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate
PubChem CID11142684
Molecular FormulaC20H17NO3S
Molecular Weight351.43 g/mol
Exact Mass351.09
IUPAC Nameethyl 7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)c(=O)n2c1-c1sccc1CC2
InChIInChI=1S/C20H17NO3S/c1-2-24-20(23)16-12-15(13-6-4-3-5-7-13)19(22)21-10-8-14-9-11-25-18(14)17(16)21/h3-7,9,11-12H,2,8,10H2,1H3
InChIKeyKSIMMOLKFOFPIK-UHFFFAOYSA-N
XLogP3.98
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Morpholine, 4-((4,6-dihydro-6-oxo-7-phenylthieno(2,3-a)indolizin-9-yl)carbonyl)-
CID 3072289
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
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
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 ethyl 7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate?
The IUPAC name of ethyl 7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate (CID 11142684) is ethyl 7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate.
What is the SMILES notation for ethyl 7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate?
The canonical SMILES for ethyl 7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate is CCOC(=O)c1cc(-c2ccccc2)c(=O)n2c1-c1sccc1CC2.
What is the InChIKey of ethyl 7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate?
The InChIKey is KSIMMOLKFOFPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3S/c1-2-24-20(23)16-12-15(13-6-4-3-5-7-13)19(22)21-10-8-14-9-11-25-18(14)17(16)21/h3-7,9,11-12H,2,8,10H2,1H3.
What are the key properties of ethyl 7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate?
ethyl 7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate has a molecular weight of 351.43 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-oxo-8-phenyl-4,5-dihydrothieno[2,3-a]quinolizine-10-carboxylate is sourced from PubChem (CID 11142684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).