methyl 5-oxothieno[3,2-a]quinolizine-4-carboxylate

C13H9NO3S — CID 134951874

IUPACmethyl 5-oxothieno[3,2-a]quinolizine-4-carboxylate
SMILESCOC(=O)c1c(=O)n2ccccc2c2ccsc12
InChIInChI=1S/C13H9NO3S/c1-17-13(16)10-11-8(5-7-18-11)9-4-2-3-6-14(9)12(10)15/h2-7H,1H3
InChIKeyWFKTWRXGGBCXBQ-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.30
Rot. Bonds1

About methyl 5-oxothieno[3,2-a]quinolizine-4-carboxylate

methyl 5-oxothieno[3,2-a]quinolizine-4-carboxylate (PubChem CID 134951874) has the molecular formula C13H9NO3S and a molecular weight of 259.29 g/mol. Its IUPAC name is methyl 5-oxothieno[3,2-a]quinolizine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-oxothieno[3,2-a]quinolizine-4-carboxylate
PubChem CID134951874
Molecular FormulaC13H9NO3S
Molecular Weight259.29 g/mol
Exact Mass259.03
IUPAC Namemethyl 5-oxothieno[3,2-a]quinolizine-4-carboxylate
SMILESCOC(=O)c1c(=O)n2ccccc2c2ccsc12
InChIInChI=1S/C13H9NO3S/c1-17-13(16)10-11-8(5-7-18-11)9-4-2-3-6-14(9)12(10)15/h2-7H,1H3
InChIKeyWFKTWRXGGBCXBQ-UHFFFAOYSA-N
XLogP2.30
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-oxothieno[3,2-a]quinolizine-4-carboxylate?
The IUPAC name of methyl 5-oxothieno[3,2-a]quinolizine-4-carboxylate (CID 134951874) is methyl 5-oxothieno[3,2-a]quinolizine-4-carboxylate.
What is the SMILES notation for methyl 5-oxothieno[3,2-a]quinolizine-4-carboxylate?
The canonical SMILES for methyl 5-oxothieno[3,2-a]quinolizine-4-carboxylate is COC(=O)c1c(=O)n2ccccc2c2ccsc12.
What is the InChIKey of methyl 5-oxothieno[3,2-a]quinolizine-4-carboxylate?
The InChIKey is WFKTWRXGGBCXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3S/c1-17-13(16)10-11-8(5-7-18-11)9-4-2-3-6-14(9)12(10)15/h2-7H,1H3.
What are the key properties of methyl 5-oxothieno[3,2-a]quinolizine-4-carboxylate?
methyl 5-oxothieno[3,2-a]quinolizine-4-carboxylate has a molecular weight of 259.29 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxothieno[3,2-a]quinolizine-4-carboxylate is sourced from PubChem (CID 134951874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).