1-[[7-[1-(azetidin-3-yl)-6-chlorospiro[2,3-dihydroquinoline-4,1'-cyclopropane]-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione

C26H25ClN4O2S — CID 164871450

About 1-[[7-[1-(azetidin-3-yl)-6-chlorospiro[2,3-dihydroquinoline-4,1'-cyclopropane]-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione

1-[[7-[1-(azetidin-3-yl)-6-chlorospiro[2,3-dihydroquinoline-4,1'-cyclopropane]-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione (PubChem CID 164871450) has the molecular formula C26H25ClN4O2S and a molecular weight of 493.03 g/mol. Its IUPAC name is 1-[[7-[1-(azetidin-3-yl)-6-chlorospiro[2,3-dihydroquinoline-4,1'-cyclopropane]-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

• Compound Name: 1-[[7-[1-(azetidin-3-yl)-6-chlorospiro[2,3-dihydroquinoline-4,1'-cyclopropane]-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione
• PubChem CID: 164871450
• Molecular Formula: C26H25ClN4O2S
• Molecular Weight: 493.03 g/mol
• Exact Mass: 492.14
• IUPAC Name: 1-[[7-[1-(azetidin-3-yl)-6-chlorospiro[2,3-dihydroquinoline-4,1'-cyclopropane]-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione
• SMILES: O=C1CCC(=O)N1Cc1cc2nccc(-c3cc(Cl)cc4c3N(C3CNC3)CCC43CC3)c2s1
• InChI: InChI=1S/C26H25ClN4O2S/c27-15-9-19(24-20(10-15)26(4-5-26)6-8-30(24)16-12-28-13-16)18-3-7-29-21-11-17(34-25(18)21)14-31-22(32)1-2-23(31)33/h3,7,9-11,16,28H,1-2,4-6,8,12-14H2
• InChIKey: CLJUKTWWBITCIM-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 65.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.03
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	1
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-[1-(azetidin-3-yl)-6-chlorospiro[2,3-dihydroquinoline-4,1'-cyclopropane]-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione?

The IUPAC name of 1-[[7-[1-(azetidin-3-yl)-6-chlorospiro[2,3-dihydroquinoline-4,1'-cyclopropane]-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione (CID 164871450) is 1-[[7-[1-(azetidin-3-yl)-6-chlorospiro[2,3-dihydroquinoline-4,1'-cyclopropane]-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione.

What is the SMILES notation for 1-[[7-[1-(azetidin-3-yl)-6-chlorospiro[2,3-dihydroquinoline-4,1'-cyclopropane]-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione?

The canonical SMILES for 1-[[7-[1-(azetidin-3-yl)-6-chlorospiro[2,3-dihydroquinoline-4,1'-cyclopropane]-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1Cc1cc2nccc(-c3cc(Cl)cc4c3N(C3CNC3)CCC43CC3)c2s1.

What is the InChIKey of 1-[[7-[1-(azetidin-3-yl)-6-chlorospiro[2,3-dihydroquinoline-4,1'-cyclopropane]-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione?

The InChIKey is CLJUKTWWBITCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4O2S/c27-15-9-19(24-20(10-15)26(4-5-26)6-8-30(24)16-12-28-13-16)18-3-7-29-21-11-17(34-25(18)21)14-31-22(32)1-2-23(31)33/h3,7,9-11,16,28H,1-2,4-6,8,12-14H2.

What are the key properties of 1-[[7-[1-(azetidin-3-yl)-6-chlorospiro[2,3-dihydroquinoline-4,1'-cyclopropane]-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione?

1-[[7-[1-(azetidin-3-yl)-6-chlorospiro[2,3-dihydroquinoline-4,1'-cyclopropane]-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione has a molecular weight of 493.03 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[7-[1-(azetidin-3-yl)-6-chlorospiro[2,3-dihydroquinoline-4,1'-cyclopropane]-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 164871450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).