tert-butyl (2R,4S)-4-[8-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]thieno[3,2-b]pyridin-7-yl]-6-chloro-3,4-dihydro-2H-quinolin-1-yl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate

C35H50ClN3O4SSi — CID 171574975

About tert-butyl (2R,4S)-4-[8-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]thieno[3,2-b]pyridin-7-yl]-6-chloro-3,4-dihydro-2H-quinolin-1-yl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate

tert-butyl (2R,4S)-4-[8-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]thieno[3,2-b]pyridin-7-yl]-6-chloro-3,4-dihydro-2H-quinolin-1-yl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate (PubChem CID 171574975) has the molecular formula C35H50ClN3O4SSi and a molecular weight of 672.41 g/mol. Its IUPAC name is tert-butyl (2R,4S)-4-[8-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]thieno[3,2-b]pyridin-7-yl]-6-chloro-3,4-dihydro-2H-quinolin-1-yl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (2R,4S)-4-[8-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]thieno[3,2-b]pyridin-7-yl]-6-chloro-3,4-dihydro-2H-quinolin-1-yl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate
• PubChem CID: 171574975
• Molecular Formula: C35H50ClN3O4SSi
• Molecular Weight: 672.41 g/mol
• Exact Mass: 671.30
• IUPAC Name: tert-butyl (2R,4S)-4-[8-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]thieno[3,2-b]pyridin-7-yl]-6-chloro-3,4-dihydro-2H-quinolin-1-yl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1C[C@@H](N2CCCc3cc(Cl)cc(-c4ccnc5cc(CO[Si](C)(C)C(C)(C)C)sc45)c32)C[C@@H]1C(C)(C)O
• InChI: InChI=1S/C35H50ClN3O4SSi/c1-33(2,3)43-32(40)39-20-24(18-29(39)35(7,8)41)38-15-11-12-22-16-23(36)17-27(30(22)38)26-13-14-37-28-19-25(44-31(26)28)21-42-45(9,10)34(4,5)6/h13-14,16-17,19,24,29,41H,11-12,15,18,20-21H2,1-10H3/t24-,29+/m0/s1
• InChIKey: BFGUIVJBKVAKPG-PWUYWRBVSA-N
• XLogP: 9.04
• TPSA: 75.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	672.41
LogP ≤ 5	9.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4S)-4-[8-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]thieno[3,2-b]pyridin-7-yl]-6-chloro-3,4-dihydro-2H-quinolin-1-yl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate?

The IUPAC name of tert-butyl (2R,4S)-4-[8-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]thieno[3,2-b]pyridin-7-yl]-6-chloro-3,4-dihydro-2H-quinolin-1-yl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate (CID 171574975) is tert-butyl (2R,4S)-4-[8-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]thieno[3,2-b]pyridin-7-yl]-6-chloro-3,4-dihydro-2H-quinolin-1-yl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate.

What is the SMILES notation for tert-butyl (2R,4S)-4-[8-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]thieno[3,2-b]pyridin-7-yl]-6-chloro-3,4-dihydro-2H-quinolin-1-yl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate?

The canonical SMILES for tert-butyl (2R,4S)-4-[8-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]thieno[3,2-b]pyridin-7-yl]-6-chloro-3,4-dihydro-2H-quinolin-1-yl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@@H](N2CCCc3cc(Cl)cc(-c4ccnc5cc(CO[Si](C)(C)C(C)(C)C)sc45)c32)C[C@@H]1C(C)(C)O.

What is the InChIKey of tert-butyl (2R,4S)-4-[8-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]thieno[3,2-b]pyridin-7-yl]-6-chloro-3,4-dihydro-2H-quinolin-1-yl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate?

The InChIKey is BFGUIVJBKVAKPG-PWUYWRBVSA-N. The full InChI is InChI=1S/C35H50ClN3O4SSi/c1-33(2,3)43-32(40)39-20-24(18-29(39)35(7,8)41)38-15-11-12-22-16-23(36)17-27(30(22)38)26-13-14-37-28-19-25(44-31(26)28)21-42-45(9,10)34(4,5)6/h13-14,16-17,19,24,29,41H,11-12,15,18,20-21H2,1-10H3/t24-,29+/m0/s1.

What are the key properties of tert-butyl (2R,4S)-4-[8-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]thieno[3,2-b]pyridin-7-yl]-6-chloro-3,4-dihydro-2H-quinolin-1-yl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate?

tert-butyl (2R,4S)-4-[8-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]thieno[3,2-b]pyridin-7-yl]-6-chloro-3,4-dihydro-2H-quinolin-1-yl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate has a molecular weight of 672.41 g/mol, XLogP of 9.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2R,4S)-4-[8-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]thieno[3,2-b]pyridin-7-yl]-6-chloro-3,4-dihydro-2H-quinolin-1-yl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 171574975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).