N-[4-[[5-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide

C38H36F2N4O9S — CID 156759362

About N-[4-[[5-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide

N-[4-[[5-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (PubChem CID 156759362) has the molecular formula C38H36F2N4O9S and a molecular weight of 762.79 g/mol. Its IUPAC name is N-[4-[[5-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[[5-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
• PubChem CID: 156759362
• Molecular Formula: C38H36F2N4O9S
• Molecular Weight: 762.79 g/mol
• Exact Mass: 762.22
• IUPAC Name: N-[4-[[5-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
• SMILES: CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OCCCN4CCS(=O)(=O)CC4)c4c(c23)OCCO4)c(F)c1
• InChI: InChI=1S/C38H36F2N4O9S/c1-2-49-30-11-14-44(26-7-4-24(39)5-8-26)38(46)34(30)37(45)42-25-6-9-29(27(40)22-25)53-31-10-12-41-28-23-32(35-36(33(28)31)52-19-18-51-35)50-17-3-13-43-15-20-54(47,48)21-16-43/h4-12,14,22-23H,2-3,13,15-21H2,1H3,(H,42,45)
• InChIKey: NSEVZZSIKXCGTQ-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 147.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	762.79
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?

The IUPAC name of N-[4-[[5-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (CID 156759362) is N-[4-[[5-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.

What is the SMILES notation for N-[4-[[5-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?

The canonical SMILES for N-[4-[[5-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OCCCN4CCS(=O)(=O)CC4)c4c(c23)OCCO4)c(F)c1.

What is the InChIKey of N-[4-[[5-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?

The InChIKey is NSEVZZSIKXCGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36F2N4O9S/c1-2-49-30-11-14-44(26-7-4-24(39)5-8-26)38(46)34(30)37(45)42-25-6-9-29(27(40)22-25)53-31-10-12-41-28-23-32(35-36(33(28)31)52-19-18-51-35)50-17-3-13-43-15-20-54(47,48)21-16-43/h4-12,14,22-23H,2-3,13,15-21H2,1H3,(H,42,45).

What are the key properties of N-[4-[[5-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?

N-[4-[[5-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide has a molecular weight of 762.79 g/mol, XLogP of 5.38, 12 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[5-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 156759362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).