2-[[7-(6-chloro-1,2,3,4-tetrahydroquinolin-8-yl)thieno[3,2-b]pyridin-2-yl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-1,3-dione;pyrrolidine

C28H30ClN5O2S — CID 164871259

About 2-[[7-(6-chloro-1,2,3,4-tetrahydroquinolin-8-yl)thieno[3,2-b]pyridin-2-yl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-1,3-dione;pyrrolidine

2-[[7-(6-chloro-1,2,3,4-tetrahydroquinolin-8-yl)thieno[3,2-b]pyridin-2-yl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-1,3-dione;pyrrolidine (PubChem CID 164871259) has the molecular formula C28H30ClN5O2S and a molecular weight of 536.10 g/mol. Its IUPAC name is 2-[[7-(6-chloro-1,2,3,4-tetrahydroquinolin-8-yl)thieno[3,2-b]pyridin-2-yl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-1,3-dione;pyrrolidine.

Molecular Properties

• Compound Name: 2-[[7-(6-chloro-1,2,3,4-tetrahydroquinolin-8-yl)thieno[3,2-b]pyridin-2-yl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-1,3-dione;pyrrolidine
• PubChem CID: 164871259
• Molecular Formula: C28H30ClN5O2S
• Molecular Weight: 536.10 g/mol
• Exact Mass: 535.18
• IUPAC Name: 2-[[7-(6-chloro-1,2,3,4-tetrahydroquinolin-8-yl)thieno[3,2-b]pyridin-2-yl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-1,3-dione;pyrrolidine
• SMILES: C1CCNC1.O=c1cc2n(c(=O)n1Cc1cc3nccc(-c4cc(Cl)cc5c4NCCC5)c3s1)CCC2
• InChI: InChI=1S/C24H21ClN4O2S.C4H9N/c25-15-9-14-3-1-6-27-22(14)19(10-15)18-5-7-26-20-12-17(32-23(18)20)13-29-21(30)11-16-4-2-8-28(16)24(29)31;1-2-4-5-3-1/h5,7,9-12,27H,1-4,6,8,13H2;5H,1-4H2
• InChIKey: GYNHJNYLAOWJNJ-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 80.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.10
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[[7-(6-chloro-1,2,3,4-tetrahydroquinolin-8-yl)thieno[3,2-b]pyridin-2-yl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-1,3-dione;pyrrolidine (CID 164871259) is 2-[[7-(6-chloro-1,2,3,4-tetrahydroquinolin-8-yl)thieno[3,2-b]pyridin-2-yl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-1,3-dione;pyrrolidine.

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

The canonical SMILES for 2-[[7-(6-chloro-1,2,3,4-tetrahydroquinolin-8-yl)thieno[3,2-b]pyridin-2-yl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-1,3-dione;pyrrolidine is C1CCNC1.O=c1cc2n(c(=O)n1Cc1cc3nccc(-c4cc(Cl)cc5c4NCCC5)c3s1)CCC2.

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

The InChIKey is GYNHJNYLAOWJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O2S.C4H9N/c25-15-9-14-3-1-6-27-22(14)19(10-15)18-5-7-26-20-12-17(32-23(18)20)13-29-21(30)11-16-4-2-8-28(16)24(29)31;1-2-4-5-3-1/h5,7,9-12,27H,1-4,6,8,13H2;5H,1-4H2.

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

2-[[7-(6-chloro-1,2,3,4-tetrahydroquinolin-8-yl)thieno[3,2-b]pyridin-2-yl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-1,3-dione;pyrrolidine has a molecular weight of 536.10 g/mol, XLogP of 4.66, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[7-(6-chloro-1,2,3,4-tetrahydroquinolin-8-yl)thieno[3,2-b]pyridin-2-yl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-1,3-dione;pyrrolidine is sourced from PubChem (CID 164871259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).