4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-7-methylsulfanylquinolin-2-amine

C15H16N4OS — CID 135088222

IUPAC4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-7-methylsulfanylquinolin-2-amine
SMILESCSc1ccc2c(C)cc(NCc3nnc(C)o3)nc2c1
InChIInChI=1S/C15H16N4OS/c1-9-6-14(16-8-15-19-18-10(2)20-15)17-13-7-11(21-3)4-5-12(9)13/h4-7H,8H2,1-3H3,(H,16,17)
InChIKeyWAVOCYXJZCESHU-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.57
Rot. Bonds4

About 4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-7-methylsulfanylquinolin-2-amine

4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-7-methylsulfanylquinolin-2-amine (PubChem CID 135088222) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-7-methylsulfanylquinolin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-7-methylsulfanylquinolin-2-amine
PubChem CID135088222
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-7-methylsulfanylquinolin-2-amine
SMILESCSc1ccc2c(C)cc(NCc3nnc(C)o3)nc2c1
InChIInChI=1S/C15H16N4OS/c1-9-6-14(16-8-15-19-18-10(2)20-15)17-13-7-11(21-3)4-5-12(9)13/h4-7H,8H2,1-3H3,(H,16,17)
InChIKeyWAVOCYXJZCESHU-UHFFFAOYSA-N
XLogP3.57
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-7-methylsulfanylquinolin-2-amine?
The IUPAC name of 4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-7-methylsulfanylquinolin-2-amine (CID 135088222) is 4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-7-methylsulfanylquinolin-2-amine.
What is the SMILES notation for 4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-7-methylsulfanylquinolin-2-amine?
The canonical SMILES for 4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-7-methylsulfanylquinolin-2-amine is CSc1ccc2c(C)cc(NCc3nnc(C)o3)nc2c1.
What is the InChIKey of 4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-7-methylsulfanylquinolin-2-amine?
The InChIKey is WAVOCYXJZCESHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-9-6-14(16-8-15-19-18-10(2)20-15)17-13-7-11(21-3)4-5-12(9)13/h4-7H,8H2,1-3H3,(H,16,17).
What are the key properties of 4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-7-methylsulfanylquinolin-2-amine?
4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-7-methylsulfanylquinolin-2-amine has a molecular weight of 300.39 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-7-methylsulfanylquinolin-2-amine is sourced from PubChem (CID 135088222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).