2-[[1-[(2-methoxyquinolin-3-yl)methyl]-1,2,4-triazol-3-yl]sulfonyl]ethanol

C15H16N4O4S — CID 166400117

IUPAC2-[[1-[(2-methoxyquinolin-3-yl)methyl]-1,2,4-triazol-3-yl]sulfonyl]ethanol
SMILESCOc1nc2ccccc2cc1Cn1cnc(S(=O)(=O)CCO)n1
InChIInChI=1S/C15H16N4O4S/c1-23-14-12(8-11-4-2-3-5-13(11)17-14)9-19-10-16-15(18-19)24(21,22)7-6-20/h2-5,8,10,20H,6-7,9H2,1H3
InChIKeyBIWSRKRVKFXTST-UHFFFAOYSA-N
MW348.38 g/mol
LogP0.65
Rot. Bonds6

About 2-[[1-[(2-methoxyquinolin-3-yl)methyl]-1,2,4-triazol-3-yl]sulfonyl]ethanol

2-[[1-[(2-methoxyquinolin-3-yl)methyl]-1,2,4-triazol-3-yl]sulfonyl]ethanol (PubChem CID 166400117) has the molecular formula C15H16N4O4S and a molecular weight of 348.38 g/mol. Its IUPAC name is 2-[[1-[(2-methoxyquinolin-3-yl)methyl]-1,2,4-triazol-3-yl]sulfonyl]ethanol.

Molecular Properties

Compound Name2-[[1-[(2-methoxyquinolin-3-yl)methyl]-1,2,4-triazol-3-yl]sulfonyl]ethanol
PubChem CID166400117
Molecular FormulaC15H16N4O4S
Molecular Weight348.38 g/mol
Exact Mass348.09
IUPAC Name2-[[1-[(2-methoxyquinolin-3-yl)methyl]-1,2,4-triazol-3-yl]sulfonyl]ethanol
SMILESCOc1nc2ccccc2cc1Cn1cnc(S(=O)(=O)CCO)n1
InChIInChI=1S/C15H16N4O4S/c1-23-14-12(8-11-4-2-3-5-13(11)17-14)9-19-10-16-15(18-19)24(21,22)7-6-20/h2-5,8,10,20H,6-7,9H2,1H3
InChIKeyBIWSRKRVKFXTST-UHFFFAOYSA-N
XLogP0.65
TPSA107.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[[1-[(2-methoxyquinolin-3-yl)methyl]-1,2,4-triazol-3-yl]sulfonyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(2-methoxyquinolin-3-yl)methyl]-1,2,4-triazol-3-yl]sulfonyl]ethanol?
The IUPAC name of 2-[[1-[(2-methoxyquinolin-3-yl)methyl]-1,2,4-triazol-3-yl]sulfonyl]ethanol (CID 166400117) is 2-[[1-[(2-methoxyquinolin-3-yl)methyl]-1,2,4-triazol-3-yl]sulfonyl]ethanol.
What is the SMILES notation for 2-[[1-[(2-methoxyquinolin-3-yl)methyl]-1,2,4-triazol-3-yl]sulfonyl]ethanol?
The canonical SMILES for 2-[[1-[(2-methoxyquinolin-3-yl)methyl]-1,2,4-triazol-3-yl]sulfonyl]ethanol is COc1nc2ccccc2cc1Cn1cnc(S(=O)(=O)CCO)n1.
What is the InChIKey of 2-[[1-[(2-methoxyquinolin-3-yl)methyl]-1,2,4-triazol-3-yl]sulfonyl]ethanol?
The InChIKey is BIWSRKRVKFXTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4S/c1-23-14-12(8-11-4-2-3-5-13(11)17-14)9-19-10-16-15(18-19)24(21,22)7-6-20/h2-5,8,10,20H,6-7,9H2,1H3.
What are the key properties of 2-[[1-[(2-methoxyquinolin-3-yl)methyl]-1,2,4-triazol-3-yl]sulfonyl]ethanol?
2-[[1-[(2-methoxyquinolin-3-yl)methyl]-1,2,4-triazol-3-yl]sulfonyl]ethanol has a molecular weight of 348.38 g/mol, XLogP of 0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(2-methoxyquinolin-3-yl)methyl]-1,2,4-triazol-3-yl]sulfonyl]ethanol is sourced from PubChem (CID 166400117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).