3-methyl-4-methylsulfanyl-[1,2]oxazolo[4,5-c]quinoline

C12H10N2OS — CID 134971529

IUPAC3-methyl-4-methylsulfanyl-[1,2]oxazolo[4,5-c]quinoline
SMILESCSc1nc2ccccc2c2onc(C)c12
InChIInChI=1S/C12H10N2OS/c1-7-10-11(15-14-7)8-5-3-4-6-9(8)13-12(10)16-2/h3-6H,1-2H3
InChIKeyLYJWYWOBGLFHCU-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.41
Rot. Bonds1

About 3-methyl-4-methylsulfanyl-[1,2]oxazolo[4,5-c]quinoline

3-methyl-4-methylsulfanyl-[1,2]oxazolo[4,5-c]quinoline (PubChem CID 134971529) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is 3-methyl-4-methylsulfanyl-[1,2]oxazolo[4,5-c]quinoline.

Molecular Properties

Compound Name3-methyl-4-methylsulfanyl-[1,2]oxazolo[4,5-c]quinoline
PubChem CID134971529
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC Name3-methyl-4-methylsulfanyl-[1,2]oxazolo[4,5-c]quinoline
SMILESCSc1nc2ccccc2c2onc(C)c12
InChIInChI=1S/C12H10N2OS/c1-7-10-11(15-14-7)8-5-3-4-6-9(8)13-12(10)16-2/h3-6H,1-2H3
InChIKeyLYJWYWOBGLFHCU-UHFFFAOYSA-N
XLogP3.41
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-Dimethyl-4-(((4-methylquinolin-2-yl)thio)methyl)isoxazole
CID 675343
3,5-Dimethyl-4-((quinolin-2-ylthio)methyl)isoxazole
CID 755902
1-[4-(5-Fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]-2-[(4-methyl-2-quinolinyl)thio]ethanone
CID 2241612
1-(4-(5-Fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)-2-(quinolin-2-ylthio)ethanone
CID 984844
1-[4-[3-(4-Fluorophenyl)-[1,2]oxazolo[4,5-c]quinolin-4-yl]phenyl]ethanone
CID 11783881
Isoxazolo[4,5-c]quinoline, 3-methyl-4-(methylthio)-6-(phenylsulfonyl)-
CID 11667835
4,5-Dihydro-3h-isoxazolo[3,4,5-kl]acridine
CID 14978486
Isoxazolo-[4,5-c]quinoline
CID 91106901
4,5-Dihydro-3H-isoxazolo[5,4,3-kl]acridine
CID 5325766
3,4-Dimethyl-[1,2]oxazolo[4,3-c]quinoline
CID 15933935
3-Methyl-4-phenylisoxazolo[4,3-c]quinoline
CID 15933936
3-Methyl-[1,2]oxazolo[4,3-c]quinoline
CID 49845922

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-methylsulfanyl-[1,2]oxazolo[4,5-c]quinoline?
The IUPAC name of 3-methyl-4-methylsulfanyl-[1,2]oxazolo[4,5-c]quinoline (CID 134971529) is 3-methyl-4-methylsulfanyl-[1,2]oxazolo[4,5-c]quinoline.
What is the SMILES notation for 3-methyl-4-methylsulfanyl-[1,2]oxazolo[4,5-c]quinoline?
The canonical SMILES for 3-methyl-4-methylsulfanyl-[1,2]oxazolo[4,5-c]quinoline is CSc1nc2ccccc2c2onc(C)c12.
What is the InChIKey of 3-methyl-4-methylsulfanyl-[1,2]oxazolo[4,5-c]quinoline?
The InChIKey is LYJWYWOBGLFHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS/c1-7-10-11(15-14-7)8-5-3-4-6-9(8)13-12(10)16-2/h3-6H,1-2H3.
What are the key properties of 3-methyl-4-methylsulfanyl-[1,2]oxazolo[4,5-c]quinoline?
3-methyl-4-methylsulfanyl-[1,2]oxazolo[4,5-c]quinoline has a molecular weight of 230.29 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-methylsulfanyl-[1,2]oxazolo[4,5-c]quinoline is sourced from PubChem (CID 134971529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).