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

C39H38F2N4O7 — CID 166707170

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

4-ethoxy-1-(4-fluorophenyl)-N-[3-fluoro-4-[[5-(1-piperidin-3-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide (PubChem CID 166707170) has the molecular formula C39H38F2N4O7 and a molecular weight of 712.75 g/mol. Its IUPAC name is 4-ethoxy-1-(4-fluorophenyl)-N-[3-fluoro-4-[[5-(1-piperidin-3-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-ethoxy-1-(4-fluorophenyl)-N-[3-fluoro-4-[[5-(1-piperidin-3-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide
• PubChem CID: 166707170
• Molecular Formula: C39H38F2N4O7
• Molecular Weight: 712.75 g/mol
• Exact Mass: 712.27
• IUPAC Name: 4-ethoxy-1-(4-fluorophenyl)-N-[3-fluoro-4-[[5-(1-piperidin-3-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide
• SMILES: CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC(CC)C4CCCNC4)c4c(c23)OCCO4)c(F)c1
• InChI: InChI=1S/C39H38F2N4O7/c1-3-29(23-6-5-15-42-22-23)51-33-21-28-34(37-36(33)49-18-19-50-37)32(13-16-43-28)52-30-12-9-25(20-27(30)41)44-38(46)35-31(48-4-2)14-17-45(39(35)47)26-10-7-24(40)8-11-26/h7-14,16-17,20-21,23,29,42H,3-6,15,18-19,22H2,1-2H3,(H,44,46)
• InChIKey: ZCPKOHHYKWUNOH-UHFFFAOYSA-N
• XLogP: 7.04
• TPSA: 122.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	712.75
LogP ≤ 5	7.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 4-ethoxy-1-(4-fluorophenyl)-N-[3-fluoro-4-[[5-(1-piperidin-3-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide (CID 166707170) is 4-ethoxy-1-(4-fluorophenyl)-N-[3-fluoro-4-[[5-(1-piperidin-3-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide.

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

The canonical SMILES for 4-ethoxy-1-(4-fluorophenyl)-N-[3-fluoro-4-[[5-(1-piperidin-3-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide is CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OC(CC)C4CCCNC4)c4c(c23)OCCO4)c(F)c1.

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

The InChIKey is ZCPKOHHYKWUNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H38F2N4O7/c1-3-29(23-6-5-15-42-22-23)51-33-21-28-34(37-36(33)49-18-19-50-37)32(13-16-43-28)52-30-12-9-25(20-27(30)41)44-38(46)35-31(48-4-2)14-17-45(39(35)47)26-10-7-24(40)8-11-26/h7-14,16-17,20-21,23,29,42H,3-6,15,18-19,22H2,1-2H3,(H,44,46).

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

4-ethoxy-1-(4-fluorophenyl)-N-[3-fluoro-4-[[5-(1-piperidin-3-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide has a molecular weight of 712.75 g/mol, XLogP of 7.04, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethoxy-1-(4-fluorophenyl)-N-[3-fluoro-4-[[5-(1-piperidin-3-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 166707170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).