6-(2-oxo-2-thiomorpholin-4-ylethyl)-1,6-naphthyridin-5-one

C14H15N3O2S — CID 72851821

IUPAC6-(2-oxo-2-thiomorpholin-4-ylethyl)-1,6-naphthyridin-5-one
SMILESO=C(Cn1ccc2ncccc2c1=O)N1CCSCC1
InChIInChI=1S/C14H15N3O2S/c18-13(16-6-8-20-9-7-16)10-17-5-3-12-11(14(17)19)2-1-4-15-12/h1-5H,6-10H2
InChIKeyGTZQERRBPULHGB-UHFFFAOYSA-N
MW289.36 g/mol
LogP0.97
Rot. Bonds2

About 6-(2-oxo-2-thiomorpholin-4-ylethyl)-1,6-naphthyridin-5-one

6-(2-oxo-2-thiomorpholin-4-ylethyl)-1,6-naphthyridin-5-one (PubChem CID 72851821) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 6-(2-oxo-2-thiomorpholin-4-ylethyl)-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name6-(2-oxo-2-thiomorpholin-4-ylethyl)-1,6-naphthyridin-5-one
PubChem CID72851821
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name6-(2-oxo-2-thiomorpholin-4-ylethyl)-1,6-naphthyridin-5-one
SMILESO=C(Cn1ccc2ncccc2c1=O)N1CCSCC1
InChIInChI=1S/C14H15N3O2S/c18-13(16-6-8-20-9-7-16)10-17-5-3-12-11(14(17)19)2-1-4-15-12/h1-5H,6-10H2
InChIKeyGTZQERRBPULHGB-UHFFFAOYSA-N
XLogP0.97
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-oxo-2-thiomorpholin-4-ylethyl)-1,6-naphthyridin-5-one?
The IUPAC name of 6-(2-oxo-2-thiomorpholin-4-ylethyl)-1,6-naphthyridin-5-one (CID 72851821) is 6-(2-oxo-2-thiomorpholin-4-ylethyl)-1,6-naphthyridin-5-one.
What is the SMILES notation for 6-(2-oxo-2-thiomorpholin-4-ylethyl)-1,6-naphthyridin-5-one?
The canonical SMILES for 6-(2-oxo-2-thiomorpholin-4-ylethyl)-1,6-naphthyridin-5-one is O=C(Cn1ccc2ncccc2c1=O)N1CCSCC1.
What is the InChIKey of 6-(2-oxo-2-thiomorpholin-4-ylethyl)-1,6-naphthyridin-5-one?
The InChIKey is GTZQERRBPULHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c18-13(16-6-8-20-9-7-16)10-17-5-3-12-11(14(17)19)2-1-4-15-12/h1-5H,6-10H2.
What are the key properties of 6-(2-oxo-2-thiomorpholin-4-ylethyl)-1,6-naphthyridin-5-one?
6-(2-oxo-2-thiomorpholin-4-ylethyl)-1,6-naphthyridin-5-one has a molecular weight of 289.36 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-oxo-2-thiomorpholin-4-ylethyl)-1,6-naphthyridin-5-one is sourced from PubChem (CID 72851821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).