[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-3-yl]methanol

C13H11N3O2S — CID 63836117

IUPAC[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-3-yl]methanol
SMILESCc1nnc(Sc2nc3ccccc3cc2CO)o1
InChIInChI=1S/C13H11N3O2S/c1-8-15-16-13(18-8)19-12-10(7-17)6-9-4-2-3-5-11(9)14-12/h2-6,17H,7H2,1H3
InChIKeyURQQBZPLGMJXNL-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.57
Rot. Bonds3

About [2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-3-yl]methanol

[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-3-yl]methanol (PubChem CID 63836117) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is [2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-3-yl]methanol.

Molecular Properties

Compound Name[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-3-yl]methanol
PubChem CID63836117
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC Name[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-3-yl]methanol
SMILESCc1nnc(Sc2nc3ccccc3cc2CO)o1
InChIInChI=1S/C13H11N3O2S/c1-8-15-16-13(18-8)19-12-10(7-17)6-9-4-2-3-5-11(9)14-12/h2-6,17H,7H2,1H3
InChIKeyURQQBZPLGMJXNL-UHFFFAOYSA-N
XLogP2.57
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-3-yl]methanol?
The IUPAC name of [2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-3-yl]methanol (CID 63836117) is [2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-3-yl]methanol.
What is the SMILES notation for [2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-3-yl]methanol?
The canonical SMILES for [2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-3-yl]methanol is Cc1nnc(Sc2nc3ccccc3cc2CO)o1.
What is the InChIKey of [2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-3-yl]methanol?
The InChIKey is URQQBZPLGMJXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c1-8-15-16-13(18-8)19-12-10(7-17)6-9-4-2-3-5-11(9)14-12/h2-6,17H,7H2,1H3.
What are the key properties of [2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-3-yl]methanol?
[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-3-yl]methanol has a molecular weight of 273.32 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]quinolin-3-yl]methanol is sourced from PubChem (CID 63836117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).