(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxo-3,4-dihydroquinolin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one

C30H37N3O6Si — CID 23984416

About (3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxo-3,4-dihydroquinolin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one

(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxo-3,4-dihydroquinolin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one (PubChem CID 23984416) has the molecular formula C30H37N3O6Si and a molecular weight of 563.73 g/mol. Its IUPAC name is (3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxo-3,4-dihydroquinolin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one.

Molecular Properties

• Compound Name: (3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxo-3,4-dihydroquinolin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one
• PubChem CID: 23984416
• Molecular Formula: C30H37N3O6Si
• Molecular Weight: 563.73 g/mol
• Exact Mass: 563.25
• IUPAC Name: (3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxo-3,4-dihydroquinolin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one
• SMILES: C[C@@H]1[C@@H]([Si](C)(C)O)[C@H](CC(=O)N2CCC[C@H]2CO)O[C@@]12C(=O)Nc1ccc(N3C(=O)CCc4ccccc43)cc12
• InChI: InChI=1S/C30H37N3O6Si/c1-18-28(40(2,3)38)25(16-27(36)32-14-6-8-21(32)17-34)39-30(18)22-15-20(11-12-23(22)31-29(30)37)33-24-9-5-4-7-19(24)10-13-26(33)35/h4-5,7,9,11-12,15,18,21,25,28,34,38H,6,8,10,13-14,16-17H2,1-3H3,(H,31,37)/t18-,21+,25+,28-,30+/m1/s1
• InChIKey: BEELQPXLASKDMR-SQBRCYMWSA-N
• XLogP: 3.42
• TPSA: 119.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	563.73
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxo-3,4-dihydroquinolin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one?

The IUPAC name of (3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxo-3,4-dihydroquinolin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one (CID 23984416) is (3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxo-3,4-dihydroquinolin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one.

What is the SMILES notation for (3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxo-3,4-dihydroquinolin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one?

The canonical SMILES for (3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxo-3,4-dihydroquinolin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one is C[C@@H]1[C@@H]([Si](C)(C)O)[C@H](CC(=O)N2CCC[C@H]2CO)O[C@@]12C(=O)Nc1ccc(N3C(=O)CCc4ccccc43)cc12.

What is the InChIKey of (3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxo-3,4-dihydroquinolin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one?

The InChIKey is BEELQPXLASKDMR-SQBRCYMWSA-N. The full InChI is InChI=1S/C30H37N3O6Si/c1-18-28(40(2,3)38)25(16-27(36)32-14-6-8-21(32)17-34)39-30(18)22-15-20(11-12-23(22)31-29(30)37)33-24-9-5-4-7-19(24)10-13-26(33)35/h4-5,7,9,11-12,15,18,21,25,28,34,38H,6,8,10,13-14,16-17H2,1-3H3,(H,31,37)/t18-,21+,25+,28-,30+/m1/s1.

What are the key properties of (3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxo-3,4-dihydroquinolin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one?

(3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxo-3,4-dihydroquinolin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one has a molecular weight of 563.73 g/mol, XLogP of 3.42, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,3'S,4'R,5'S)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3'-methyl-5-(2-oxo-3,4-dihydroquinolin-1-yl)spiro[1H-indole-3,2'-oxolane]-2-one is sourced from PubChem (CID 23984416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).