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

C69H61F4N7O14 — CID 163991200

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

N-[4-[[5-[3-(dimethylamino)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;4-ethoxy-N-[4-[(5-ethoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (PubChem CID 163991200) has the molecular formula C69H61F4N7O14 and a molecular weight of 1288.27 g/mol. Its IUPAC name is N-[4-[[5-[3-(dimethylamino)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;4-ethoxy-N-[4-[(5-ethoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[[5-[3-(dimethylamino)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;4-ethoxy-N-[4-[(5-ethoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
• PubChem CID: 163991200
• Molecular Formula: C69H61F4N7O14
• Molecular Weight: 1288.27 g/mol
• Exact Mass: 1287.42
• IUPAC Name: N-[4-[[5-[3-(dimethylamino)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;4-ethoxy-N-[4-[(5-ethoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
• SMILES: CCOc1cc2nccc(Oc3ccc(NC(=O)c4c(OCC)ccn(-c5ccc(F)cc5)c4=O)cc3F)c2c2c1OCCO2.CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OCCCN(C)C)c4c(c23)OCCO4)c(F)c1
• InChI: InChI=1S/C36H34F2N4O7.C33H27F2N3O7/c1-4-45-28-13-16-42(24-9-6-22(37)7-10-24)36(44)32(28)35(43)40-23-8-11-27(25(38)20-23)49-29-12-14-39-26-21-30(46-17-5-15-41(2)3)33-34(31(26)29)48-19-18-47-33;1-3-41-25-12-14-38(21-8-5-19(34)6-9-21)33(40)29(25)32(39)37-20-7-10-24(22(35)17-20)45-26-11-13-36-23-18-27(42-4-2)30-31(28(23)26)44-16-15-43-30/h6-14,16,20-21H,4-5,15,17-19H2,1-3H3,(H,40,43);5-14,17-18H,3-4,15-16H2,1-2H3,(H,37,39)
• InChIKey: UATQAJFULVBLRV-UHFFFAOYSA-N
• XLogP: 12.49
• TPSA: 223.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 21
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1288.27
LogP ≤ 5	12.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

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-(dimethylamino)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;4-ethoxy-N-[4-[(5-ethoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?

The IUPAC name of N-[4-[[5-[3-(dimethylamino)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;4-ethoxy-N-[4-[(5-ethoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (CID 163991200) is N-[4-[[5-[3-(dimethylamino)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;4-ethoxy-N-[4-[(5-ethoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.

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

The canonical SMILES for N-[4-[[5-[3-(dimethylamino)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;4-ethoxy-N-[4-[(5-ethoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is CCOc1cc2nccc(Oc3ccc(NC(=O)c4c(OCC)ccn(-c5ccc(F)cc5)c4=O)cc3F)c2c2c1OCCO2.CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OCCCN(C)C)c4c(c23)OCCO4)c(F)c1.

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

The InChIKey is UATQAJFULVBLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34F2N4O7.C33H27F2N3O7/c1-4-45-28-13-16-42(24-9-6-22(37)7-10-24)36(44)32(28)35(43)40-23-8-11-27(25(38)20-23)49-29-12-14-39-26-21-30(46-17-5-15-41(2)3)33-34(31(26)29)48-19-18-47-33;1-3-41-25-12-14-38(21-8-5-19(34)6-9-21)33(40)29(25)32(39)37-20-7-10-24(22(35)17-20)45-26-11-13-36-23-18-27(42-4-2)30-31(28(23)26)44-16-15-43-30/h6-14,16,20-21H,4-5,15,17-19H2,1-3H3,(H,40,43);5-14,17-18H,3-4,15-16H2,1-2H3,(H,37,39).

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

N-[4-[[5-[3-(dimethylamino)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;4-ethoxy-N-[4-[(5-ethoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide has a molecular weight of 1288.27 g/mol, XLogP of 12.49, 21 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[5-[3-(dimethylamino)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;4-ethoxy-N-[4-[(5-ethoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 163991200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).