(2S)-2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

C20H15ClN4O2S — CID 9441676

About (2S)-2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

(2S)-2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (PubChem CID 9441676) has the molecular formula C20H15ClN4O2S and a molecular weight of 410.89 g/mol. Its IUPAC name is (2S)-2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

• Compound Name: (2S)-2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
• PubChem CID: 9441676
• Molecular Formula: C20H15ClN4O2S
• Molecular Weight: 410.89 g/mol
• Exact Mass: 410.06
• IUPAC Name: (2S)-2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
• SMILES: C[C@H](Sc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)o1)C(N)=O
• InChI: InChI=1S/C20H15ClN4O2S/c1-11(18(22)26)28-20-25-24-19(27-20)15-10-17(12-6-8-13(21)9-7-12)23-16-5-3-2-4-14(15)16/h2-11H,1H3,(H2,22,26)/t11-/m0/s1
• InChIKey: RZCXLILWVYMZJB-NSHDSACASA-N
• XLogP: 4.57
• TPSA: 94.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.89
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?

The IUPAC name of (2S)-2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (CID 9441676) is (2S)-2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.

What is the SMILES notation for (2S)-2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?

The canonical SMILES for (2S)-2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is C[C@H](Sc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)o1)C(N)=O.

What is the InChIKey of (2S)-2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?

The InChIKey is RZCXLILWVYMZJB-NSHDSACASA-N. The full InChI is InChI=1S/C20H15ClN4O2S/c1-11(18(22)26)28-20-25-24-19(27-20)15-10-17(12-6-8-13(21)9-7-12)23-16-5-3-2-4-14(15)16/h2-11H,1H3,(H2,22,26)/t11-/m0/s1.

What are the key properties of (2S)-2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?

(2S)-2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 410.89 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 9441676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).