1-(2-methylquinolin-8-yl)sulfanylpropan-2-one

C13H13NOS — CID 17385263

IUPAC1-(2-methylquinolin-8-yl)sulfanylpropan-2-one
SMILESCC(=O)CSc1cccc2ccc(C)nc12
InChIInChI=1S/C13H13NOS/c1-9-6-7-11-4-3-5-12(13(11)14-9)16-8-10(2)15/h3-7H,8H2,1-2H3
InChIKeySXCITVYLTWZENS-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.22
Rot. Bonds3

About 1-(2-methylquinolin-8-yl)sulfanylpropan-2-one

1-(2-methylquinolin-8-yl)sulfanylpropan-2-one (PubChem CID 17385263) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is 1-(2-methylquinolin-8-yl)sulfanylpropan-2-one.

Molecular Properties

Compound Name1-(2-methylquinolin-8-yl)sulfanylpropan-2-one
PubChem CID17385263
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name1-(2-methylquinolin-8-yl)sulfanylpropan-2-one
SMILESCC(=O)CSc1cccc2ccc(C)nc12
InChIInChI=1S/C13H13NOS/c1-9-6-7-11-4-3-5-12(13(11)14-9)16-8-10(2)15/h3-7H,8H2,1-2H3
InChIKeySXCITVYLTWZENS-UHFFFAOYSA-N
XLogP3.22
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-quinolin-8-ylsulfanylacetate
CID 975565
CID 6371660
CID 6371660
CID 66916636
CID 66916636
CID 172780914
CID 172780914
CID 173009222
CID 173009222
tetraaluminum;hexakis(2-methylquinolin-8-ol);tris(oxygen(2-))
CID 173129908
ethane;bis(2-methylquinolin-8-ol);propane;hydrate
CID 143591758
1-phenyl-2-quinolin-8-ylsulfanylethanone
CID 23884541
CID 87849940
CID 87849940
1-(2,4-dimethylphenyl)-2-quinolin-8-ylsulfanylethanone
CID 872997
1-(3-methylbenzo[e]benzimidazol-2-yl)sulfanylpropan-2-one
CID 5056702
2-methyl-3-(methylamino)-N-(2-methylquinolin-8-yl)propanamide
CID 79201712

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylquinolin-8-yl)sulfanylpropan-2-one?
The IUPAC name of 1-(2-methylquinolin-8-yl)sulfanylpropan-2-one (CID 17385263) is 1-(2-methylquinolin-8-yl)sulfanylpropan-2-one.
What is the SMILES notation for 1-(2-methylquinolin-8-yl)sulfanylpropan-2-one?
The canonical SMILES for 1-(2-methylquinolin-8-yl)sulfanylpropan-2-one is CC(=O)CSc1cccc2ccc(C)nc12.
What is the InChIKey of 1-(2-methylquinolin-8-yl)sulfanylpropan-2-one?
The InChIKey is SXCITVYLTWZENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c1-9-6-7-11-4-3-5-12(13(11)14-9)16-8-10(2)15/h3-7H,8H2,1-2H3.
What are the key properties of 1-(2-methylquinolin-8-yl)sulfanylpropan-2-one?
1-(2-methylquinolin-8-yl)sulfanylpropan-2-one has a molecular weight of 231.32 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylquinolin-8-yl)sulfanylpropan-2-one is sourced from PubChem (CID 17385263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).