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

C26H27ClN4O2S — CID 170428880

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

1-[[7-(6-chloro-1-pyrrolidin-3-yl-3,4-dihydro-2H-quinolin-8-yl)-5-methylthieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione (PubChem CID 170428880) has the molecular formula C26H27ClN4O2S and a molecular weight of 495.05 g/mol. Its IUPAC name is 1-[[7-(6-chloro-1-pyrrolidin-3-yl-3,4-dihydro-2H-quinolin-8-yl)-5-methylthieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

• Compound Name: 1-[[7-(6-chloro-1-pyrrolidin-3-yl-3,4-dihydro-2H-quinolin-8-yl)-5-methylthieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione
• PubChem CID: 170428880
• Molecular Formula: C26H27ClN4O2S
• Molecular Weight: 495.05 g/mol
• Exact Mass: 494.15
• IUPAC Name: 1-[[7-(6-chloro-1-pyrrolidin-3-yl-3,4-dihydro-2H-quinolin-8-yl)-5-methylthieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione
• SMILES: Cc1cc(-c2cc(Cl)cc3c2N(C2CCNC2)CCC3)c2sc(CN3C(=O)CCC3=O)cc2n1
• InChI: InChI=1S/C26H27ClN4O2S/c1-15-9-21(26-22(29-15)12-19(34-26)14-31-23(32)4-5-24(31)33)20-11-17(27)10-16-3-2-8-30(25(16)20)18-6-7-28-13-18/h9-12,18,28H,2-8,13-14H2,1H3
• InChIKey: RJLKFQOJZANJJP-UHFFFAOYSA-N
• XLogP: 4.69
• 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	495.05
LogP ≤ 5	4.69
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-(6-chloro-1-pyrrolidin-3-yl-3,4-dihydro-2H-quinolin-8-yl)-5-methylthieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione?

The IUPAC name of 1-[[7-(6-chloro-1-pyrrolidin-3-yl-3,4-dihydro-2H-quinolin-8-yl)-5-methylthieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione (CID 170428880) is 1-[[7-(6-chloro-1-pyrrolidin-3-yl-3,4-dihydro-2H-quinolin-8-yl)-5-methylthieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione.

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

The canonical SMILES for 1-[[7-(6-chloro-1-pyrrolidin-3-yl-3,4-dihydro-2H-quinolin-8-yl)-5-methylthieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione is Cc1cc(-c2cc(Cl)cc3c2N(C2CCNC2)CCC3)c2sc(CN3C(=O)CCC3=O)cc2n1.

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

The InChIKey is RJLKFQOJZANJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN4O2S/c1-15-9-21(26-22(29-15)12-19(34-26)14-31-23(32)4-5-24(31)33)20-11-17(27)10-16-3-2-8-30(25(16)20)18-6-7-28-13-18/h9-12,18,28H,2-8,13-14H2,1H3.

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

1-[[7-(6-chloro-1-pyrrolidin-3-yl-3,4-dihydro-2H-quinolin-8-yl)-5-methylthieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione has a molecular weight of 495.05 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[7-(6-chloro-1-pyrrolidin-3-yl-3,4-dihydro-2H-quinolin-8-yl)-5-methylthieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 170428880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).