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

C35H31F2N3O8 — CID 156759254

About 4-ethoxy-N-[3-fluoro-4-[[5-(3-methoxypropoxy)-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-methoxypropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (PubChem CID 156759254) 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-(3-methoxypropoxy)-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-methoxypropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
• PubChem CID: 156759254
• Molecular Formula: C35H31F2N3O8
• Molecular Weight: 659.64 g/mol
• Exact Mass: 659.21
• IUPAC Name: 4-ethoxy-N-[3-fluoro-4-[[5-(3-methoxypropoxy)-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(OCCCOC)c4c(c23)OCCO4)c(F)c1
• InChI: InChI=1S/C35H31F2N3O8/c1-3-44-27-12-14-40(23-8-5-21(36)6-9-23)35(42)31(27)34(41)39-22-7-10-26(24(37)19-22)48-28-11-13-38-25-20-29(45-16-4-15-43-2)32-33(30(25)28)47-18-17-46-32/h5-14,19-20H,3-4,15-18H2,1-2H3,(H,39,41)
• InChIKey: COHMMTFOBPQQRM-UHFFFAOYSA-N
• XLogP: 6.29
• TPSA: 119.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	659.64
LogP ≤ 5	6.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

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-methoxypropoxy)-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-methoxypropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (CID 156759254) is 4-ethoxy-N-[3-fluoro-4-[[5-(3-methoxypropoxy)-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-methoxypropoxy)-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-methoxypropoxy)-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(OCCCOC)c4c(c23)OCCO4)c(F)c1.

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

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

What are the key properties of 4-ethoxy-N-[3-fluoro-4-[[5-(3-methoxypropoxy)-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-methoxypropoxy)-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 6.29, 12 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethoxy-N-[3-fluoro-4-[[5-(3-methoxypropoxy)-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 156759254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).