5-methyl-6-quinolin-4-yl-4H-1,4-thiazin-3-one

C14H12N2OS — CID 11971508

IUPAC5-methyl-6-quinolin-4-yl-4H-1,4-thiazin-3-one
SMILESCC1=C(c2ccnc3ccccc23)SCC(=O)N1
InChIInChI=1S/C14H12N2OS/c1-9-14(18-8-13(17)16-9)11-6-7-15-12-5-3-2-4-10(11)12/h2-7H,8H2,1H3,(H,16,17)
InChIKeyXVRPCJJFKURBNF-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.79
Rot. Bonds1

About 5-methyl-6-quinolin-4-yl-4H-1,4-thiazin-3-one

5-methyl-6-quinolin-4-yl-4H-1,4-thiazin-3-one (PubChem CID 11971508) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 5-methyl-6-quinolin-4-yl-4H-1,4-thiazin-3-one.

Molecular Properties

Compound Name5-methyl-6-quinolin-4-yl-4H-1,4-thiazin-3-one
PubChem CID11971508
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name5-methyl-6-quinolin-4-yl-4H-1,4-thiazin-3-one
SMILESCC1=C(c2ccnc3ccccc23)SCC(=O)N1
InChIInChI=1S/C14H12N2OS/c1-9-14(18-8-13(17)16-9)11-6-7-15-12-5-3-2-4-10(11)12/h2-7H,8H2,1H3,(H,16,17)
InChIKeyXVRPCJJFKURBNF-UHFFFAOYSA-N
XLogP2.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-quinolin-4-yl-4H-1,4-thiazin-3-one?
The IUPAC name of 5-methyl-6-quinolin-4-yl-4H-1,4-thiazin-3-one (CID 11971508) is 5-methyl-6-quinolin-4-yl-4H-1,4-thiazin-3-one.
What is the SMILES notation for 5-methyl-6-quinolin-4-yl-4H-1,4-thiazin-3-one?
The canonical SMILES for 5-methyl-6-quinolin-4-yl-4H-1,4-thiazin-3-one is CC1=C(c2ccnc3ccccc23)SCC(=O)N1.
What is the InChIKey of 5-methyl-6-quinolin-4-yl-4H-1,4-thiazin-3-one?
The InChIKey is XVRPCJJFKURBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-9-14(18-8-13(17)16-9)11-6-7-15-12-5-3-2-4-10(11)12/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of 5-methyl-6-quinolin-4-yl-4H-1,4-thiazin-3-one?
5-methyl-6-quinolin-4-yl-4H-1,4-thiazin-3-one has a molecular weight of 256.33 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-quinolin-4-yl-4H-1,4-thiazin-3-one is sourced from PubChem (CID 11971508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).