2-(4-methylphenyl)-5-thieno[2,3-b]quinolin-2-yl-1,3,4-oxadiazole

C20H13N3OS — CID 1485308

IUPAC2-(4-methylphenyl)-5-thieno[2,3-b]quinolin-2-yl-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(-c3cc4cc5ccccc5nc4s3)o2)cc1
InChIInChI=1S/C20H13N3OS/c1-12-6-8-13(9-7-12)18-22-23-19(24-18)17-11-15-10-14-4-2-3-5-16(14)21-20(15)25-17/h2-11H,1H3
InChIKeySPAPLTWUVMVRBR-UHFFFAOYSA-N
MW343.41 g/mol
LogP5.47
Rot. Bonds2

About 2-(4-methylphenyl)-5-thieno[2,3-b]quinolin-2-yl-1,3,4-oxadiazole

2-(4-methylphenyl)-5-thieno[2,3-b]quinolin-2-yl-1,3,4-oxadiazole (PubChem CID 1485308) has the molecular formula C20H13N3OS and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-thieno[2,3-b]quinolin-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-thieno[2,3-b]quinolin-2-yl-1,3,4-oxadiazole
PubChem CID1485308
Molecular FormulaC20H13N3OS
Molecular Weight343.41 g/mol
Exact Mass343.08
IUPAC Name2-(4-methylphenyl)-5-thieno[2,3-b]quinolin-2-yl-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(-c3cc4cc5ccccc5nc4s3)o2)cc1
InChIInChI=1S/C20H13N3OS/c1-12-6-8-13(9-7-12)18-22-23-19(24-18)17-11-15-10-14-4-2-3-5-16(14)21-20(15)25-17/h2-11H,1H3
InChIKeySPAPLTWUVMVRBR-UHFFFAOYSA-N
XLogP5.47
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.41
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-thieno[2,3-b]quinolin-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methylphenyl)-5-thieno[2,3-b]quinolin-2-yl-1,3,4-oxadiazole (CID 1485308) is 2-(4-methylphenyl)-5-thieno[2,3-b]quinolin-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methylphenyl)-5-thieno[2,3-b]quinolin-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methylphenyl)-5-thieno[2,3-b]quinolin-2-yl-1,3,4-oxadiazole is Cc1ccc(-c2nnc(-c3cc4cc5ccccc5nc4s3)o2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5-thieno[2,3-b]quinolin-2-yl-1,3,4-oxadiazole?
The InChIKey is SPAPLTWUVMVRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3OS/c1-12-6-8-13(9-7-12)18-22-23-19(24-18)17-11-15-10-14-4-2-3-5-16(14)21-20(15)25-17/h2-11H,1H3.
What are the key properties of 2-(4-methylphenyl)-5-thieno[2,3-b]quinolin-2-yl-1,3,4-oxadiazole?
2-(4-methylphenyl)-5-thieno[2,3-b]quinolin-2-yl-1,3,4-oxadiazole has a molecular weight of 343.41 g/mol, XLogP of 5.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5-thieno[2,3-b]quinolin-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 1485308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).