2-[(7-methoxy-4-phenylquinolin-2-yl)sulfanylmethyl]-5-methyl-1,3,4-oxadiazole

C20H17N3O2S — CID 17393759

IUPAC2-[(7-methoxy-4-phenylquinolin-2-yl)sulfanylmethyl]-5-methyl-1,3,4-oxadiazole
SMILESCOc1ccc2c(-c3ccccc3)cc(SCc3nnc(C)o3)nc2c1
InChIInChI=1S/C20H17N3O2S/c1-13-22-23-19(25-13)12-26-20-11-17(14-6-4-3-5-7-14)16-9-8-15(24-2)10-18(16)21-20/h3-11H,12H2,1-2H3
InChIKeyHVFBBZKVNFHWLS-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.89
Rot. Bonds5

About 2-[(7-methoxy-4-phenylquinolin-2-yl)sulfanylmethyl]-5-methyl-1,3,4-oxadiazole

2-[(7-methoxy-4-phenylquinolin-2-yl)sulfanylmethyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 17393759) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-[(7-methoxy-4-phenylquinolin-2-yl)sulfanylmethyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(7-methoxy-4-phenylquinolin-2-yl)sulfanylmethyl]-5-methyl-1,3,4-oxadiazole
PubChem CID17393759
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name2-[(7-methoxy-4-phenylquinolin-2-yl)sulfanylmethyl]-5-methyl-1,3,4-oxadiazole
SMILESCOc1ccc2c(-c3ccccc3)cc(SCc3nnc(C)o3)nc2c1
InChIInChI=1S/C20H17N3O2S/c1-13-22-23-19(25-13)12-26-20-11-17(14-6-4-3-5-7-14)16-9-8-15(24-2)10-18(16)21-20/h3-11H,12H2,1-2H3
InChIKeyHVFBBZKVNFHWLS-UHFFFAOYSA-N
XLogP4.89
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-methoxy-4-phenylquinolin-2-yl)sulfanylmethyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(7-methoxy-4-phenylquinolin-2-yl)sulfanylmethyl]-5-methyl-1,3,4-oxadiazole (CID 17393759) is 2-[(7-methoxy-4-phenylquinolin-2-yl)sulfanylmethyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(7-methoxy-4-phenylquinolin-2-yl)sulfanylmethyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(7-methoxy-4-phenylquinolin-2-yl)sulfanylmethyl]-5-methyl-1,3,4-oxadiazole is COc1ccc2c(-c3ccccc3)cc(SCc3nnc(C)o3)nc2c1.
What is the InChIKey of 2-[(7-methoxy-4-phenylquinolin-2-yl)sulfanylmethyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is HVFBBZKVNFHWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-13-22-23-19(25-13)12-26-20-11-17(14-6-4-3-5-7-14)16-9-8-15(24-2)10-18(16)21-20/h3-11H,12H2,1-2H3.
What are the key properties of 2-[(7-methoxy-4-phenylquinolin-2-yl)sulfanylmethyl]-5-methyl-1,3,4-oxadiazole?
2-[(7-methoxy-4-phenylquinolin-2-yl)sulfanylmethyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 363.44 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-methoxy-4-phenylquinolin-2-yl)sulfanylmethyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 17393759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).