1-[[7-[6-chloro-1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;hydrochloride

C28H30Cl2N4O2S — CID 175805706

About 1-[[7-[6-chloro-1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;hydrochloride

1-[[7-[6-chloro-1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;hydrochloride (PubChem CID 175805706) has the molecular formula C28H30Cl2N4O2S and a molecular weight of 557.55 g/mol. Its IUPAC name is 1-[[7-[6-chloro-1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;hydrochloride.

Molecular Properties

• Compound Name: 1-[[7-[6-chloro-1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;hydrochloride
• PubChem CID: 175805706
• Molecular Formula: C28H30Cl2N4O2S
• Molecular Weight: 557.55 g/mol
• Exact Mass: 556.15
• IUPAC Name: 1-[[7-[6-chloro-1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;hydrochloride
• SMILES: CN1CC2(CC(N3CCCc4cc(Cl)cc(-c5ccnc6cc(CN7C(=O)CCC7=O)sc56)c43)C2)C1.Cl
• InChI: InChI=1S/C28H29ClN4O2S.ClH/c1-31-15-28(16-31)12-19(13-28)32-8-2-3-17-9-18(29)10-22(26(17)32)21-6-7-30-23-11-20(36-27(21)23)14-33-24(34)4-5-25(33)35;/h6-7,9-11,19H,2-5,8,12-16H2,1H3;1H
• InChIKey: KZWISUUVFLFADS-UHFFFAOYSA-N
• XLogP: 5.53
• 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	557.55
LogP ≤ 5	5.53
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-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;hydrochloride?

The IUPAC name of 1-[[7-[6-chloro-1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;hydrochloride (CID 175805706) is 1-[[7-[6-chloro-1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;hydrochloride.

What is the SMILES notation for 1-[[7-[6-chloro-1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;hydrochloride?

The canonical SMILES for 1-[[7-[6-chloro-1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;hydrochloride is CN1CC2(CC(N3CCCc4cc(Cl)cc(-c5ccnc6cc(CN7C(=O)CCC7=O)sc56)c43)C2)C1.Cl.

What is the InChIKey of 1-[[7-[6-chloro-1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;hydrochloride?

The InChIKey is KZWISUUVFLFADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClN4O2S.ClH/c1-31-15-28(16-31)12-19(13-28)32-8-2-3-17-9-18(29)10-22(26(17)32)21-6-7-30-23-11-20(36-27(21)23)14-33-24(34)4-5-25(33)35;/h6-7,9-11,19H,2-5,8,12-16H2,1H3;1H.

What are the key properties of 1-[[7-[6-chloro-1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;hydrochloride?

1-[[7-[6-chloro-1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;hydrochloride has a molecular weight of 557.55 g/mol, XLogP of 5.53, 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-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;hydrochloride is sourced from PubChem (CID 175805706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).