6-ethoxy-3-(4-hydroxybutylamino)-1-[3-[2-[(2S,3R,4S,5R)-4-[hydroxy(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyloxolan-2-yl]ethyl]phenyl]-3,4-dihydroquinolin-2-one

C32H48N2O6Si — CID 23845965

About 6-ethoxy-3-(4-hydroxybutylamino)-1-[3-[2-[(2S,3R,4S,5R)-4-[hydroxy(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyloxolan-2-yl]ethyl]phenyl]-3,4-dihydroquinolin-2-one

6-ethoxy-3-(4-hydroxybutylamino)-1-[3-[2-[(2S,3R,4S,5R)-4-[hydroxy(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyloxolan-2-yl]ethyl]phenyl]-3,4-dihydroquinolin-2-one (PubChem CID 23845965) has the molecular formula C32H48N2O6Si and a molecular weight of 584.83 g/mol. Its IUPAC name is 6-ethoxy-3-(4-hydroxybutylamino)-1-[3-[2-[(2S,3R,4S,5R)-4-[hydroxy(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyloxolan-2-yl]ethyl]phenyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

• Compound Name: 6-ethoxy-3-(4-hydroxybutylamino)-1-[3-[2-[(2S,3R,4S,5R)-4-[hydroxy(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyloxolan-2-yl]ethyl]phenyl]-3,4-dihydroquinolin-2-one
• PubChem CID: 23845965
• Molecular Formula: C32H48N2O6Si
• Molecular Weight: 584.83 g/mol
• Exact Mass: 584.33
• IUPAC Name: 6-ethoxy-3-(4-hydroxybutylamino)-1-[3-[2-[(2S,3R,4S,5R)-4-[hydroxy(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyloxolan-2-yl]ethyl]phenyl]-3,4-dihydroquinolin-2-one
• SMILES: CCOc1ccc2c(c1)CC(NCCCCO)C(=O)N2c1cccc(CC[C@@H]2O[C@H](CCO)[C@@H]([Si](C)(C)O)[C@@H]2C)c1
• InChI: InChI=1S/C32H48N2O6Si/c1-5-39-26-12-13-28-24(20-26)21-27(33-16-6-7-17-35)32(37)34(28)25-10-8-9-23(19-25)11-14-29-22(2)31(41(3,4)38)30(40-29)15-18-36/h8-10,12-13,19-20,22,27,29-31,33,35-36,38H,5-7,11,14-18,21H2,1-4H3/t22-,27?,29+,30-,31+/m1/s1
• InChIKey: SSQYQEZIZQXPED-BKSIEQDNSA-N
• XLogP: 4.32
• TPSA: 111.49 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	584.83
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

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 6-ethoxy-3-(4-hydroxybutylamino)-1-[3-[2-[(2S,3R,4S,5R)-4-[hydroxy(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyloxolan-2-yl]ethyl]phenyl]-3,4-dihydroquinolin-2-one?

The IUPAC name of 6-ethoxy-3-(4-hydroxybutylamino)-1-[3-[2-[(2S,3R,4S,5R)-4-[hydroxy(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyloxolan-2-yl]ethyl]phenyl]-3,4-dihydroquinolin-2-one (CID 23845965) is 6-ethoxy-3-(4-hydroxybutylamino)-1-[3-[2-[(2S,3R,4S,5R)-4-[hydroxy(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyloxolan-2-yl]ethyl]phenyl]-3,4-dihydroquinolin-2-one.

What is the SMILES notation for 6-ethoxy-3-(4-hydroxybutylamino)-1-[3-[2-[(2S,3R,4S,5R)-4-[hydroxy(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyloxolan-2-yl]ethyl]phenyl]-3,4-dihydroquinolin-2-one?

The canonical SMILES for 6-ethoxy-3-(4-hydroxybutylamino)-1-[3-[2-[(2S,3R,4S,5R)-4-[hydroxy(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyloxolan-2-yl]ethyl]phenyl]-3,4-dihydroquinolin-2-one is CCOc1ccc2c(c1)CC(NCCCCO)C(=O)N2c1cccc(CC[C@@H]2O[C@H](CCO)[C@@H]([Si](C)(C)O)[C@@H]2C)c1.

What is the InChIKey of 6-ethoxy-3-(4-hydroxybutylamino)-1-[3-[2-[(2S,3R,4S,5R)-4-[hydroxy(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyloxolan-2-yl]ethyl]phenyl]-3,4-dihydroquinolin-2-one?

The InChIKey is SSQYQEZIZQXPED-BKSIEQDNSA-N. The full InChI is InChI=1S/C32H48N2O6Si/c1-5-39-26-12-13-28-24(20-26)21-27(33-16-6-7-17-35)32(37)34(28)25-10-8-9-23(19-25)11-14-29-22(2)31(41(3,4)38)30(40-29)15-18-36/h8-10,12-13,19-20,22,27,29-31,33,35-36,38H,5-7,11,14-18,21H2,1-4H3/t22-,27?,29+,30-,31+/m1/s1.

What are the key properties of 6-ethoxy-3-(4-hydroxybutylamino)-1-[3-[2-[(2S,3R,4S,5R)-4-[hydroxy(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyloxolan-2-yl]ethyl]phenyl]-3,4-dihydroquinolin-2-one?

6-ethoxy-3-(4-hydroxybutylamino)-1-[3-[2-[(2S,3R,4S,5R)-4-[hydroxy(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyloxolan-2-yl]ethyl]phenyl]-3,4-dihydroquinolin-2-one has a molecular weight of 584.83 g/mol, XLogP of 4.32, 14 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethoxy-3-(4-hydroxybutylamino)-1-[3-[2-[(2S,3R,4S,5R)-4-[hydroxy(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyloxolan-2-yl]ethyl]phenyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 23845965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).