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

C23H17N5OS — CID 170454032

IUPAC5-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinolin-8-ol
SMILESOc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccccc2)c2cccnc12
InChIInChI=1S/C23H17N5OS/c29-20-9-8-17(19-7-4-12-25-21(19)20)15-30-23-27-26-22(16-10-13-24-14-11-16)28(23)18-5-2-1-3-6-18/h1-14,29H,15H2
InChIKeyMKSCXRGOSOTBJA-UHFFFAOYSA-N
MW411.49 g/mol
LogP4.88
Rot. Bonds5

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

5-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinolin-8-ol (PubChem CID 170454032) has the molecular formula C23H17N5OS and a molecular weight of 411.49 g/mol. Its IUPAC name is 5-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinolin-8-ol
PubChem CID170454032
Molecular FormulaC23H17N5OS
Molecular Weight411.49 g/mol
Exact Mass411.12
IUPAC Name5-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinolin-8-ol
SMILESOc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccccc2)c2cccnc12
InChIInChI=1S/C23H17N5OS/c29-20-9-8-17(19-7-4-12-25-21(19)20)15-30-23-27-26-22(16-10-13-24-14-11-16)28(23)18-5-2-1-3-6-18/h1-14,29H,15H2
InChIKeyMKSCXRGOSOTBJA-UHFFFAOYSA-N
XLogP4.88
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinolin-8-ol with MolForge

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Related Compounds

5-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]quinolin-8-ol
CID 170453994
4-(5-benzylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)pyridine
CID 758286
4-[4-(4-fluorophenyl)-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine
CID 3943421
3-(4-methylphenyl)-5-(naphthalen-1-ylmethylsulfanyl)-4-phenyl-1,2,4-triazole
CID 3838840
4-[5-[(2-fluorophenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyridine
CID 1272969
3-[(2-methylphenyl)methylsulfanyl]-4,5-diphenyl-1,2,4-triazole
CID 7841245
methyl 3-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate
CID 18122362
3-[(2,4-difluorophenyl)methylsulfanyl]-5-(4-fluorophenyl)-4-phenyl-1,2,4-triazole
CID 7207040
4-[5-[(2-chlorophenyl)methylsulfanyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]pyridine
CID 2943072
3-[5-[(2-fluorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine
CID 2216369
ethyl 2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 736523
4-[5-benzylsulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]pyridine
CID 4014314

Frequently Asked Questions

What is the IUPAC name of 5-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinolin-8-ol?
The IUPAC name of 5-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinolin-8-ol (CID 170454032) is 5-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinolin-8-ol.
What is the SMILES notation for 5-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinolin-8-ol?
The canonical SMILES for 5-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinolin-8-ol is Oc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccccc2)c2cccnc12.
What is the InChIKey of 5-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinolin-8-ol?
The InChIKey is MKSCXRGOSOTBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5OS/c29-20-9-8-17(19-7-4-12-25-21(19)20)15-30-23-27-26-22(16-10-13-24-14-11-16)28(23)18-5-2-1-3-6-18/h1-14,29H,15H2.
What are the key properties of 5-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinolin-8-ol?
5-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinolin-8-ol has a molecular weight of 411.49 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]quinolin-8-ol is sourced from PubChem (CID 170454032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).