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

C35H31F2N3O8 — CID 156759352

About 4-ethoxy-N-[3-fluoro-4-[[5-(2-hydroxy-2-methylpropoxy)-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-(2-hydroxy-2-methylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (PubChem CID 156759352) has the molecular formula C35H31F2N3O8 and a molecular weight of 659.64 g/mol. Its IUPAC name is 4-ethoxy-N-[3-fluoro-4-[[5-(2-hydroxy-2-methylpropoxy)-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-(2-hydroxy-2-methylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
• PubChem CID: 156759352
• Molecular Formula: C35H31F2N3O8
• Molecular Weight: 659.64 g/mol
• Exact Mass: 659.21
• IUPAC Name: 4-ethoxy-N-[3-fluoro-4-[[5-(2-hydroxy-2-methylpropoxy)-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(OCC(C)(C)O)c4c(c23)OCCO4)c(F)c1
• InChI: InChI=1S/C35H31F2N3O8/c1-4-44-26-12-14-40(22-8-5-20(36)6-9-22)34(42)30(26)33(41)39-21-7-10-25(23(37)17-21)48-27-11-13-38-24-18-28(47-19-35(2,3)43)31-32(29(24)27)46-16-15-45-31/h5-14,17-18,43H,4,15-16,19H2,1-3H3,(H,39,41)
• InChIKey: HGHZDKZATHJEAA-UHFFFAOYSA-N
• XLogP: 6.03
• TPSA: 130.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	659.64
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[3-fluoro-4-[[5-(2-hydroxy-2-methylpropoxy)-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-(2-hydroxy-2-methylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (CID 156759352) is 4-ethoxy-N-[3-fluoro-4-[[5-(2-hydroxy-2-methylpropoxy)-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-(2-hydroxy-2-methylpropoxy)-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-(2-hydroxy-2-methylpropoxy)-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(OCC(C)(C)O)c4c(c23)OCCO4)c(F)c1.

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

The InChIKey is HGHZDKZATHJEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31F2N3O8/c1-4-44-26-12-14-40(22-8-5-20(36)6-9-22)34(42)30(26)33(41)39-21-7-10-25(23(37)17-21)48-27-11-13-38-24-18-28(47-19-35(2,3)43)31-32(29(24)27)46-16-15-45-31/h5-14,17-18,43H,4,15-16,19H2,1-3H3,(H,39,41).

What are the key properties of 4-ethoxy-N-[3-fluoro-4-[[5-(2-hydroxy-2-methylpropoxy)-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-(2-hydroxy-2-methylpropoxy)-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 659.64 g/mol, XLogP of 6.03, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethoxy-N-[3-fluoro-4-[[5-(2-hydroxy-2-methylpropoxy)-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 156759352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).