1-[[7-(6-chloro-1,2,3,4-tetrahydroquinolin-8-yl)-6-fluorothieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;pyrrolidine

C25H26ClFN4O2S — CID 164871362

About 1-[[7-(6-chloro-1,2,3,4-tetrahydroquinolin-8-yl)-6-fluorothieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;pyrrolidine

1-[[7-(6-chloro-1,2,3,4-tetrahydroquinolin-8-yl)-6-fluorothieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;pyrrolidine (PubChem CID 164871362) has the molecular formula C25H26ClFN4O2S and a molecular weight of 501.03 g/mol. Its IUPAC name is 1-[[7-(6-chloro-1,2,3,4-tetrahydroquinolin-8-yl)-6-fluorothieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;pyrrolidine.

Molecular Properties

• Compound Name: 1-[[7-(6-chloro-1,2,3,4-tetrahydroquinolin-8-yl)-6-fluorothieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;pyrrolidine
• PubChem CID: 164871362
• Molecular Formula: C25H26ClFN4O2S
• Molecular Weight: 501.03 g/mol
• Exact Mass: 500.14
• IUPAC Name: 1-[[7-(6-chloro-1,2,3,4-tetrahydroquinolin-8-yl)-6-fluorothieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;pyrrolidine
• SMILES: C1CCNC1.O=C1CCC(=O)N1Cc1cc2ncc(F)c(-c3cc(Cl)cc4c3NCCC4)c2s1
• InChI: InChI=1S/C21H17ClFN3O2S.C4H9N/c22-12-6-11-2-1-5-24-20(11)14(7-12)19-15(23)9-25-16-8-13(29-21(16)19)10-26-17(27)3-4-18(26)28;1-2-4-5-3-1/h6-9,24H,1-5,10H2;5H,1-4H2
• InChIKey: ZZUSOQCVAWDDSY-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 74.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.03
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[[7-(6-chloro-1,2,3,4-tetrahydroquinolin-8-yl)-6-fluorothieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;pyrrolidine?

The IUPAC name of 1-[[7-(6-chloro-1,2,3,4-tetrahydroquinolin-8-yl)-6-fluorothieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;pyrrolidine (CID 164871362) is 1-[[7-(6-chloro-1,2,3,4-tetrahydroquinolin-8-yl)-6-fluorothieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;pyrrolidine.

What is the SMILES notation for 1-[[7-(6-chloro-1,2,3,4-tetrahydroquinolin-8-yl)-6-fluorothieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;pyrrolidine?

The canonical SMILES for 1-[[7-(6-chloro-1,2,3,4-tetrahydroquinolin-8-yl)-6-fluorothieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;pyrrolidine is C1CCNC1.O=C1CCC(=O)N1Cc1cc2ncc(F)c(-c3cc(Cl)cc4c3NCCC4)c2s1.

What is the InChIKey of 1-[[7-(6-chloro-1,2,3,4-tetrahydroquinolin-8-yl)-6-fluorothieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;pyrrolidine?

The InChIKey is ZZUSOQCVAWDDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN3O2S.C4H9N/c22-12-6-11-2-1-5-24-20(11)14(7-12)19-15(23)9-25-16-8-13(29-21(16)19)10-26-17(27)3-4-18(26)28;1-2-4-5-3-1/h6-9,24H,1-5,10H2;5H,1-4H2.

What are the key properties of 1-[[7-(6-chloro-1,2,3,4-tetrahydroquinolin-8-yl)-6-fluorothieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;pyrrolidine?

1-[[7-(6-chloro-1,2,3,4-tetrahydroquinolin-8-yl)-6-fluorothieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;pyrrolidine has a molecular weight of 501.03 g/mol, XLogP of 5.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[7-(6-chloro-1,2,3,4-tetrahydroquinolin-8-yl)-6-fluorothieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;pyrrolidine is sourced from PubChem (CID 164871362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).