1-[[7-[6-chloro-1-(5-methyl-5-azaspiro[3.4]octan-7-yl)-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione

C29H31ClN4O2S — CID 170428879

About 1-[[7-[6-chloro-1-(5-methyl-5-azaspiro[3.4]octan-7-yl)-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione

1-[[7-[6-chloro-1-(5-methyl-5-azaspiro[3.4]octan-7-yl)-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione (PubChem CID 170428879) has the molecular formula C29H31ClN4O2S and a molecular weight of 535.11 g/mol. Its IUPAC name is 1-[[7-[6-chloro-1-(5-methyl-5-azaspiro[3.4]octan-7-yl)-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

• Compound Name: 1-[[7-[6-chloro-1-(5-methyl-5-azaspiro[3.4]octan-7-yl)-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione
• PubChem CID: 170428879
• Molecular Formula: C29H31ClN4O2S
• Molecular Weight: 535.11 g/mol
• Exact Mass: 534.19
• IUPAC Name: 1-[[7-[6-chloro-1-(5-methyl-5-azaspiro[3.4]octan-7-yl)-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione
• SMILES: CN1CC(N2CCCc3cc(Cl)cc(-c4ccnc5cc(CN6C(=O)CCC6=O)sc45)c32)CC12CCC2
• InChI: InChI=1S/C29H31ClN4O2S/c1-32-16-20(15-29(32)8-3-9-29)33-11-2-4-18-12-19(30)13-23(27(18)33)22-7-10-31-24-14-21(37-28(22)24)17-34-25(35)5-6-26(34)36/h7,10,12-14,20H,2-6,8-9,11,15-17H2,1H3
• InChIKey: HSNUBHISUORYPH-UHFFFAOYSA-N
• XLogP: 5.65
• TPSA: 56.75 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.11
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	0
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-(5-methyl-5-azaspiro[3.4]octan-7-yl)-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione?

The IUPAC name of 1-[[7-[6-chloro-1-(5-methyl-5-azaspiro[3.4]octan-7-yl)-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione (CID 170428879) is 1-[[7-[6-chloro-1-(5-methyl-5-azaspiro[3.4]octan-7-yl)-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione.

What is the SMILES notation for 1-[[7-[6-chloro-1-(5-methyl-5-azaspiro[3.4]octan-7-yl)-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione?

The canonical SMILES for 1-[[7-[6-chloro-1-(5-methyl-5-azaspiro[3.4]octan-7-yl)-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione is CN1CC(N2CCCc3cc(Cl)cc(-c4ccnc5cc(CN6C(=O)CCC6=O)sc45)c32)CC12CCC2.

What is the InChIKey of 1-[[7-[6-chloro-1-(5-methyl-5-azaspiro[3.4]octan-7-yl)-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione?

The InChIKey is HSNUBHISUORYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31ClN4O2S/c1-32-16-20(15-29(32)8-3-9-29)33-11-2-4-18-12-19(30)13-23(27(18)33)22-7-10-31-24-14-21(37-28(22)24)17-34-25(35)5-6-26(34)36/h7,10,12-14,20H,2-6,8-9,11,15-17H2,1H3.

What are the key properties of 1-[[7-[6-chloro-1-(5-methyl-5-azaspiro[3.4]octan-7-yl)-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione?

1-[[7-[6-chloro-1-(5-methyl-5-azaspiro[3.4]octan-7-yl)-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione has a molecular weight of 535.11 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[7-[6-chloro-1-(5-methyl-5-azaspiro[3.4]octan-7-yl)-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 170428879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).