3-methyl-5-quinolin-8-ylsulfanylpyrimidin-4-one

C14H11N3OS — CID 162501176

IUPAC3-methyl-5-quinolin-8-ylsulfanylpyrimidin-4-one
SMILESCn1cncc(Sc2cccc3cccnc23)c1=O
InChIInChI=1S/C14H11N3OS/c1-17-9-15-8-12(14(17)18)19-11-6-2-4-10-5-3-7-16-13(10)11/h2-9H,1H3
InChIKeyOHVUWYAXQVKHKN-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.48
Rot. Bonds2

About 3-methyl-5-quinolin-8-ylsulfanylpyrimidin-4-one

3-methyl-5-quinolin-8-ylsulfanylpyrimidin-4-one (PubChem CID 162501176) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is 3-methyl-5-quinolin-8-ylsulfanylpyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-5-quinolin-8-ylsulfanylpyrimidin-4-one
PubChem CID162501176
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC Name3-methyl-5-quinolin-8-ylsulfanylpyrimidin-4-one
SMILESCn1cncc(Sc2cccc3cccnc23)c1=O
InChIInChI=1S/C14H11N3OS/c1-17-9-15-8-12(14(17)18)19-11-6-2-4-10-5-3-7-16-13(10)11/h2-9H,1H3
InChIKeyOHVUWYAXQVKHKN-UHFFFAOYSA-N
XLogP2.48
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-quinolin-8-ylsulfanylpyrimidin-4-one?
The IUPAC name of 3-methyl-5-quinolin-8-ylsulfanylpyrimidin-4-one (CID 162501176) is 3-methyl-5-quinolin-8-ylsulfanylpyrimidin-4-one.
What is the SMILES notation for 3-methyl-5-quinolin-8-ylsulfanylpyrimidin-4-one?
The canonical SMILES for 3-methyl-5-quinolin-8-ylsulfanylpyrimidin-4-one is Cn1cncc(Sc2cccc3cccnc23)c1=O.
What is the InChIKey of 3-methyl-5-quinolin-8-ylsulfanylpyrimidin-4-one?
The InChIKey is OHVUWYAXQVKHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c1-17-9-15-8-12(14(17)18)19-11-6-2-4-10-5-3-7-16-13(10)11/h2-9H,1H3.
What are the key properties of 3-methyl-5-quinolin-8-ylsulfanylpyrimidin-4-one?
3-methyl-5-quinolin-8-ylsulfanylpyrimidin-4-one has a molecular weight of 269.33 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-quinolin-8-ylsulfanylpyrimidin-4-one is sourced from PubChem (CID 162501176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).