4-ethoxy-N-[3-fluoro-4-[[5-[3-[2-methoxyethyl(methyl)amino]propoxy]-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide

C38H38F2N4O8 — CID 156759360

About 4-ethoxy-N-[3-fluoro-4-[[5-[3-[2-methoxyethyl(methyl)amino]propoxy]-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide

4-ethoxy-N-[3-fluoro-4-[[5-[3-[2-methoxyethyl(methyl)amino]propoxy]-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (PubChem CID 156759360) has the molecular formula C38H38F2N4O8 and a molecular weight of 716.74 g/mol. Its IUPAC name is 4-ethoxy-N-[3-fluoro-4-[[5-[3-[2-methoxyethyl(methyl)amino]propoxy]-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-ethoxy-N-[3-fluoro-4-[[5-[3-[2-methoxyethyl(methyl)amino]propoxy]-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
• PubChem CID: 156759360
• Molecular Formula: C38H38F2N4O8
• Molecular Weight: 716.74 g/mol
• Exact Mass: 716.27
• IUPAC Name: 4-ethoxy-N-[3-fluoro-4-[[5-[3-[2-methoxyethyl(methyl)amino]propoxy]-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
• SMILES: CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OCCCN(C)CCOC)c4c(c23)OCCO4)c(F)c1
• InChI: InChI=1S/C38H38F2N4O8/c1-4-48-30-13-16-44(26-9-6-24(39)7-10-26)38(46)34(30)37(45)42-25-8-11-29(27(40)22-25)52-31-12-14-41-28-23-32(35-36(33(28)31)51-21-20-50-35)49-18-5-15-43(2)17-19-47-3/h6-14,16,22-23H,4-5,15,17-21H2,1-3H3,(H,42,45)
• InChIKey: NGVPKBOHSJAYJO-UHFFFAOYSA-N
• XLogP: 6.23
• TPSA: 122.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 15
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	716.74
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 4-ethoxy-N-[3-fluoro-4-[[5-[3-[2-methoxyethyl(methyl)amino]propoxy]-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (CID 156759360) is 4-ethoxy-N-[3-fluoro-4-[[5-[3-[2-methoxyethyl(methyl)amino]propoxy]-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.

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

The canonical SMILES for 4-ethoxy-N-[3-fluoro-4-[[5-[3-[2-methoxyethyl(methyl)amino]propoxy]-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OCCCN(C)CCOC)c4c(c23)OCCO4)c(F)c1.

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

The InChIKey is NGVPKBOHSJAYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38F2N4O8/c1-4-48-30-13-16-44(26-9-6-24(39)7-10-26)38(46)34(30)37(45)42-25-8-11-29(27(40)22-25)52-31-12-14-41-28-23-32(35-36(33(28)31)51-21-20-50-35)49-18-5-15-43(2)17-19-47-3/h6-14,16,22-23H,4-5,15,17-21H2,1-3H3,(H,42,45).

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

4-ethoxy-N-[3-fluoro-4-[[5-[3-[2-methoxyethyl(methyl)amino]propoxy]-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide has a molecular weight of 716.74 g/mol, XLogP of 6.23, 15 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethoxy-N-[3-fluoro-4-[[5-[3-[2-methoxyethyl(methyl)amino]propoxy]-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 156759360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).