5-[[5-(4-hydroxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinolin-8-ol

C24H18N4O2S — CID 170454018

IUPAC5-[[5-(4-hydroxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinolin-8-ol
SMILESOc1ccc(-c2nnc(SCc3ccc(O)c4ncccc34)n2-c2ccccc2)cc1
InChIInChI=1S/C24H18N4O2S/c29-19-11-8-16(9-12-19)23-26-27-24(28(23)18-5-2-1-3-6-18)31-15-17-10-13-21(30)22-20(17)7-4-14-25-22/h1-14,29-30H,15H2
InChIKeyLMVCBATYGWQFPR-UHFFFAOYSA-N
MW426.50 g/mol
LogP5.19
Rot. Bonds5

About 5-[[5-(4-hydroxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinolin-8-ol

5-[[5-(4-hydroxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinolin-8-ol (PubChem CID 170454018) has the molecular formula C24H18N4O2S and a molecular weight of 426.50 g/mol. Its IUPAC name is 5-[[5-(4-hydroxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[[5-(4-hydroxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinolin-8-ol
PubChem CID170454018
Molecular FormulaC24H18N4O2S
Molecular Weight426.50 g/mol
Exact Mass426.12
IUPAC Name5-[[5-(4-hydroxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinolin-8-ol
SMILESOc1ccc(-c2nnc(SCc3ccc(O)c4ncccc34)n2-c2ccccc2)cc1
InChIInChI=1S/C24H18N4O2S/c29-19-11-8-16(9-12-19)23-26-27-24(28(23)18-5-2-1-3-6-18)31-15-17-10-13-21(30)22-20(17)7-4-14-25-22/h1-14,29-30H,15H2
InChIKeyLMVCBATYGWQFPR-UHFFFAOYSA-N
XLogP5.19
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.50
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[[5-(4-hydroxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinolin-8-ol 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 5-[[5-(4-hydroxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinolin-8-ol?
The IUPAC name of 5-[[5-(4-hydroxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinolin-8-ol (CID 170454018) is 5-[[5-(4-hydroxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinolin-8-ol.
What is the SMILES notation for 5-[[5-(4-hydroxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinolin-8-ol?
The canonical SMILES for 5-[[5-(4-hydroxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinolin-8-ol is Oc1ccc(-c2nnc(SCc3ccc(O)c4ncccc34)n2-c2ccccc2)cc1.
What is the InChIKey of 5-[[5-(4-hydroxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinolin-8-ol?
The InChIKey is LMVCBATYGWQFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2S/c29-19-11-8-16(9-12-19)23-26-27-24(28(23)18-5-2-1-3-6-18)31-15-17-10-13-21(30)22-20(17)7-4-14-25-22/h1-14,29-30H,15H2.
What are the key properties of 5-[[5-(4-hydroxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinolin-8-ol?
5-[[5-(4-hydroxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinolin-8-ol has a molecular weight of 426.50 g/mol, XLogP of 5.19, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(4-hydroxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinolin-8-ol is sourced from PubChem (CID 170454018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).