ethyl 2-amino-4-oxo-[1,3]thiazino[5,6-c]quinoline-8-carboxylate

C14H11N3O3S — CID 43839924

IUPACethyl 2-amino-4-oxo-[1,3]thiazino[5,6-c]quinoline-8-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)ncc1c(=O)nc(N)sc12
InChIInChI=1S/C14H11N3O3S/c1-2-20-13(19)7-3-4-8-10(5-7)16-6-9-11(8)21-14(15)17-12(9)18/h3-6H,2H2,1H3,(H2,15,17,18)
InChIKeyZSHAJVJHMSHQER-UHFFFAOYSA-N
MW301.33 g/mol
LogP1.96
Rot. Bonds2

About ethyl 2-amino-4-oxo-[1,3]thiazino[5,6-c]quinoline-8-carboxylate

ethyl 2-amino-4-oxo-[1,3]thiazino[5,6-c]quinoline-8-carboxylate (PubChem CID 43839924) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is ethyl 2-amino-4-oxo-[1,3]thiazino[5,6-c]quinoline-8-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-oxo-[1,3]thiazino[5,6-c]quinoline-8-carboxylate
PubChem CID43839924
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC Nameethyl 2-amino-4-oxo-[1,3]thiazino[5,6-c]quinoline-8-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)ncc1c(=O)nc(N)sc12
InChIInChI=1S/C14H11N3O3S/c1-2-20-13(19)7-3-4-8-10(5-7)16-6-9-11(8)21-14(15)17-12(9)18/h3-6H,2H2,1H3,(H2,15,17,18)
InChIKeyZSHAJVJHMSHQER-UHFFFAOYSA-N
XLogP1.96
TPSA95.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-oxo-[1,3]thiazino[5,6-c]quinoline-8-carboxylate?
The IUPAC name of ethyl 2-amino-4-oxo-[1,3]thiazino[5,6-c]quinoline-8-carboxylate (CID 43839924) is ethyl 2-amino-4-oxo-[1,3]thiazino[5,6-c]quinoline-8-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-oxo-[1,3]thiazino[5,6-c]quinoline-8-carboxylate?
The canonical SMILES for ethyl 2-amino-4-oxo-[1,3]thiazino[5,6-c]quinoline-8-carboxylate is CCOC(=O)c1ccc2c(c1)ncc1c(=O)nc(N)sc12.
What is the InChIKey of ethyl 2-amino-4-oxo-[1,3]thiazino[5,6-c]quinoline-8-carboxylate?
The InChIKey is ZSHAJVJHMSHQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c1-2-20-13(19)7-3-4-8-10(5-7)16-6-9-11(8)21-14(15)17-12(9)18/h3-6H,2H2,1H3,(H2,15,17,18).
What are the key properties of ethyl 2-amino-4-oxo-[1,3]thiazino[5,6-c]quinoline-8-carboxylate?
ethyl 2-amino-4-oxo-[1,3]thiazino[5,6-c]quinoline-8-carboxylate has a molecular weight of 301.33 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-oxo-[1,3]thiazino[5,6-c]quinoline-8-carboxylate is sourced from PubChem (CID 43839924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).