10-ethyl-8-pyridin-4-yl-[1,2]thiazolo[5,4-b]quinolizine-3,4-dione

C17H13N3O2S — CID 11688389

IUPAC10-ethyl-8-pyridin-4-yl-[1,2]thiazolo[5,4-b]quinolizine-3,4-dione
SMILESCCc1c2s[nH]c(=O)c2c(=O)n2ccc(-c3ccncc3)cc12
InChIInChI=1S/C17H13N3O2S/c1-2-12-13-9-11(10-3-6-18-7-4-10)5-8-20(13)17(22)14-15(12)23-19-16(14)21/h3-9H,2H2,1H3,(H,19,21)
InChIKeyKSKYADHIJGMLQL-UHFFFAOYSA-N
MW323.38 g/mol
LogP2.83
Rot. Bonds2

About 10-ethyl-8-pyridin-4-yl-[1,2]thiazolo[5,4-b]quinolizine-3,4-dione

10-ethyl-8-pyridin-4-yl-[1,2]thiazolo[5,4-b]quinolizine-3,4-dione (PubChem CID 11688389) has the molecular formula C17H13N3O2S and a molecular weight of 323.38 g/mol. Its IUPAC name is 10-ethyl-8-pyridin-4-yl-[1,2]thiazolo[5,4-b]quinolizine-3,4-dione.

Molecular Properties

Compound Name10-ethyl-8-pyridin-4-yl-[1,2]thiazolo[5,4-b]quinolizine-3,4-dione
PubChem CID11688389
Molecular FormulaC17H13N3O2S
Molecular Weight323.38 g/mol
Exact Mass323.07
IUPAC Name10-ethyl-8-pyridin-4-yl-[1,2]thiazolo[5,4-b]quinolizine-3,4-dione
SMILESCCc1c2s[nH]c(=O)c2c(=O)n2ccc(-c3ccncc3)cc12
InChIInChI=1S/C17H13N3O2S/c1-2-12-13-9-11(10-3-6-18-7-4-10)5-8-20(13)17(22)14-15(12)23-19-16(14)21/h3-9H,2H2,1H3,(H,19,21)
InChIKeyKSKYADHIJGMLQL-UHFFFAOYSA-N
XLogP2.83
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-ethyl-8-pyridin-4-yl-[1,2]thiazolo[5,4-b]quinolizine-3,4-dione?
The IUPAC name of 10-ethyl-8-pyridin-4-yl-[1,2]thiazolo[5,4-b]quinolizine-3,4-dione (CID 11688389) is 10-ethyl-8-pyridin-4-yl-[1,2]thiazolo[5,4-b]quinolizine-3,4-dione.
What is the SMILES notation for 10-ethyl-8-pyridin-4-yl-[1,2]thiazolo[5,4-b]quinolizine-3,4-dione?
The canonical SMILES for 10-ethyl-8-pyridin-4-yl-[1,2]thiazolo[5,4-b]quinolizine-3,4-dione is CCc1c2s[nH]c(=O)c2c(=O)n2ccc(-c3ccncc3)cc12.
What is the InChIKey of 10-ethyl-8-pyridin-4-yl-[1,2]thiazolo[5,4-b]quinolizine-3,4-dione?
The InChIKey is KSKYADHIJGMLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2S/c1-2-12-13-9-11(10-3-6-18-7-4-10)5-8-20(13)17(22)14-15(12)23-19-16(14)21/h3-9H,2H2,1H3,(H,19,21).
What are the key properties of 10-ethyl-8-pyridin-4-yl-[1,2]thiazolo[5,4-b]quinolizine-3,4-dione?
10-ethyl-8-pyridin-4-yl-[1,2]thiazolo[5,4-b]quinolizine-3,4-dione has a molecular weight of 323.38 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethyl-8-pyridin-4-yl-[1,2]thiazolo[5,4-b]quinolizine-3,4-dione is sourced from PubChem (CID 11688389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).