N-[4-[[5-[6-(dimethylamino)hexoxy]-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide

C39H40F2N4O7 — CID 162425182

About N-[4-[[5-[6-(dimethylamino)hexoxy]-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide

N-[4-[[5-[6-(dimethylamino)hexoxy]-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (PubChem CID 162425182) has the molecular formula C39H40F2N4O7 and a molecular weight of 714.77 g/mol. Its IUPAC name is N-[4-[[5-[6-(dimethylamino)hexoxy]-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[[5-[6-(dimethylamino)hexoxy]-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
• PubChem CID: 162425182
• Molecular Formula: C39H40F2N4O7
• Molecular Weight: 714.77 g/mol
• Exact Mass: 714.29
• IUPAC Name: N-[4-[[5-[6-(dimethylamino)hexoxy]-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
• SMILES: CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OCCCCCCN(C)C)c4c(c23)OCCO4)c(F)c1
• InChI: InChI=1S/C39H40F2N4O7/c1-4-48-31-16-19-45(27-12-9-25(40)10-13-27)39(47)35(31)38(46)43-26-11-14-30(28(41)23-26)52-32-15-17-42-29-24-33(36-37(34(29)32)51-22-21-50-36)49-20-8-6-5-7-18-44(2)3/h9-17,19,23-24H,4-8,18,20-22H2,1-3H3,(H,43,46)
• InChIKey: CZLNSJPKUHBHKH-UHFFFAOYSA-N
• XLogP: 7.38
• TPSA: 113.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	714.77
LogP ≤ 5	7.38
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 N-[4-[[5-[6-(dimethylamino)hexoxy]-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?

The IUPAC name of N-[4-[[5-[6-(dimethylamino)hexoxy]-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (CID 162425182) is N-[4-[[5-[6-(dimethylamino)hexoxy]-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.

What is the SMILES notation for N-[4-[[5-[6-(dimethylamino)hexoxy]-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?

The canonical SMILES for N-[4-[[5-[6-(dimethylamino)hexoxy]-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(OCCCCCCN(C)C)c4c(c23)OCCO4)c(F)c1.

What is the InChIKey of N-[4-[[5-[6-(dimethylamino)hexoxy]-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?

The InChIKey is CZLNSJPKUHBHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H40F2N4O7/c1-4-48-31-16-19-45(27-12-9-25(40)10-13-27)39(47)35(31)38(46)43-26-11-14-30(28(41)23-26)52-32-15-17-42-29-24-33(36-37(34(29)32)51-22-21-50-36)49-20-8-6-5-7-18-44(2)3/h9-17,19,23-24H,4-8,18,20-22H2,1-3H3,(H,43,46).

What are the key properties of N-[4-[[5-[6-(dimethylamino)hexoxy]-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?

N-[4-[[5-[6-(dimethylamino)hexoxy]-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide has a molecular weight of 714.77 g/mol, XLogP of 7.38, 15 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[5-[6-(dimethylamino)hexoxy]-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 162425182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).