(3S,3'S,4'R,5'S)-5-[6-ethoxy-3-(4-hydroxybutylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methylspiro[1H-indole-3,2'-oxolane]-2-one

C35H48N6O7Si — CID 23787034

About (3S,3'S,4'R,5'S)-5-[6-ethoxy-3-(4-hydroxybutylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methylspiro[1H-indole-3,2'-oxolane]-2-one

(3S,3'S,4'R,5'S)-5-[6-ethoxy-3-(4-hydroxybutylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methylspiro[1H-indole-3,2'-oxolane]-2-one (PubChem CID 23787034) has the molecular formula C35H48N6O7Si and a molecular weight of 692.89 g/mol. Its IUPAC name is (3S,3'S,4'R,5'S)-5-[6-ethoxy-3-(4-hydroxybutylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methylspiro[1H-indole-3,2'-oxolane]-2-one.

Molecular Properties

• Compound Name: (3S,3'S,4'R,5'S)-5-[6-ethoxy-3-(4-hydroxybutylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methylspiro[1H-indole-3,2'-oxolane]-2-one
• PubChem CID: 23787034
• Molecular Formula: C35H48N6O7Si
• Molecular Weight: 692.89 g/mol
• Exact Mass: 692.34
• IUPAC Name: (3S,3'S,4'R,5'S)-5-[6-ethoxy-3-(4-hydroxybutylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methylspiro[1H-indole-3,2'-oxolane]-2-one
• SMILES: CCOc1ccc2c(c1)CC(NCCCCO)C(=O)N2c1ccc2c(c1)[C@]1(O[C@@H](CCn3cc(CCO)nn3)[C@H]([Si](C)(C)O)[C@H]1C)C(=O)N2
• InChI: InChI=1S/C35H48N6O7Si/c1-5-47-26-9-11-30-23(18-26)19-29(36-14-6-7-16-42)33(44)41(30)25-8-10-28-27(20-25)35(34(45)37-28)22(2)32(49(3,4)46)31(48-35)12-15-40-21-24(13-17-43)38-39-40/h8-11,18,20-22,29,31-32,36,42-43,46H,5-7,12-17,19H2,1-4H3,(H,37,45)/t22-,29?,31+,32-,35+/m1/s1
• InChIKey: KFZAZAQHXCOGNT-CCZOMFEDSA-N
• XLogP: 3.00
• TPSA: 171.30 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 14
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	692.89
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3S,3'S,4'R,5'S)-5-[6-ethoxy-3-(4-hydroxybutylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methylspiro[1H-indole-3,2'-oxolane]-2-one?

The IUPAC name of (3S,3'S,4'R,5'S)-5-[6-ethoxy-3-(4-hydroxybutylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methylspiro[1H-indole-3,2'-oxolane]-2-one (CID 23787034) is (3S,3'S,4'R,5'S)-5-[6-ethoxy-3-(4-hydroxybutylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methylspiro[1H-indole-3,2'-oxolane]-2-one.

What is the SMILES notation for (3S,3'S,4'R,5'S)-5-[6-ethoxy-3-(4-hydroxybutylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methylspiro[1H-indole-3,2'-oxolane]-2-one?

The canonical SMILES for (3S,3'S,4'R,5'S)-5-[6-ethoxy-3-(4-hydroxybutylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methylspiro[1H-indole-3,2'-oxolane]-2-one is CCOc1ccc2c(c1)CC(NCCCCO)C(=O)N2c1ccc2c(c1)[C@]1(O[C@@H](CCn3cc(CCO)nn3)[C@H]([Si](C)(C)O)[C@H]1C)C(=O)N2.

What is the InChIKey of (3S,3'S,4'R,5'S)-5-[6-ethoxy-3-(4-hydroxybutylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methylspiro[1H-indole-3,2'-oxolane]-2-one?

The InChIKey is KFZAZAQHXCOGNT-CCZOMFEDSA-N. The full InChI is InChI=1S/C35H48N6O7Si/c1-5-47-26-9-11-30-23(18-26)19-29(36-14-6-7-16-42)33(44)41(30)25-8-10-28-27(20-25)35(34(45)37-28)22(2)32(49(3,4)46)31(48-35)12-15-40-21-24(13-17-43)38-39-40/h8-11,18,20-22,29,31-32,36,42-43,46H,5-7,12-17,19H2,1-4H3,(H,37,45)/t22-,29?,31+,32-,35+/m1/s1.

What are the key properties of (3S,3'S,4'R,5'S)-5-[6-ethoxy-3-(4-hydroxybutylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methylspiro[1H-indole-3,2'-oxolane]-2-one?

(3S,3'S,4'R,5'S)-5-[6-ethoxy-3-(4-hydroxybutylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methylspiro[1H-indole-3,2'-oxolane]-2-one has a molecular weight of 692.89 g/mol, XLogP of 3.00, 14 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,3'S,4'R,5'S)-5-[6-ethoxy-3-(4-hydroxybutylamino)-2-oxo-3,4-dihydroquinolin-1-yl]-4'-[hydroxy(dimethyl)silyl]-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-3'-methylspiro[1H-indole-3,2'-oxolane]-2-one is sourced from PubChem (CID 23787034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).