N-[3-fluoro-4-[6-methoxy-7-[3-(4-methylpiperidin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide

C39H38F2N4O6 — CID 155779517

About N-[3-fluoro-4-[6-methoxy-7-[3-(4-methylpiperidin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide

N-[3-fluoro-4-[6-methoxy-7-[3-(4-methylpiperidin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide (PubChem CID 155779517) has the molecular formula C39H38F2N4O6 and a molecular weight of 696.75 g/mol. Its IUPAC name is N-[3-fluoro-4-[6-methoxy-7-[3-(4-methylpiperidin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide.

Molecular Properties

• Compound Name: N-[3-fluoro-4-[6-methoxy-7-[3-(4-methylpiperidin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide
• PubChem CID: 155779517
• Molecular Formula: C39H38F2N4O6
• Molecular Weight: 696.75 g/mol
• Exact Mass: 696.28
• IUPAC Name: N-[3-fluoro-4-[6-methoxy-7-[3-(4-methylpiperidin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide
• SMILES: COc1cc2c(Oc3ccc(NC(=O)c4c5c(cn(-c6ccc(F)cc6)c4=O)CCO5)cc3F)ccnc2cc1OCCCN1CCC(C)CC1
• InChI: InChI=1S/C39H38F2N4O6/c1-24-11-16-44(17-12-24)15-3-18-49-35-22-31-29(21-34(35)48-2)32(10-14-42-31)51-33-9-6-27(20-30(33)41)43-38(46)36-37-25(13-19-50-37)23-45(39(36)47)28-7-4-26(40)5-8-28/h4-10,14,20-24H,3,11-13,15-19H2,1-2H3,(H,43,46)
• InChIKey: PURDNQRUAXESLZ-UHFFFAOYSA-N
• XLogP: 7.15
• TPSA: 104.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	696.75
LogP ≤ 5	7.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[6-methoxy-7-[3-(4-methylpiperidin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide?

The IUPAC name of N-[3-fluoro-4-[6-methoxy-7-[3-(4-methylpiperidin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide (CID 155779517) is N-[3-fluoro-4-[6-methoxy-7-[3-(4-methylpiperidin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide.

What is the SMILES notation for N-[3-fluoro-4-[6-methoxy-7-[3-(4-methylpiperidin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide?

The canonical SMILES for N-[3-fluoro-4-[6-methoxy-7-[3-(4-methylpiperidin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide is COc1cc2c(Oc3ccc(NC(=O)c4c5c(cn(-c6ccc(F)cc6)c4=O)CCO5)cc3F)ccnc2cc1OCCCN1CCC(C)CC1.

What is the InChIKey of N-[3-fluoro-4-[6-methoxy-7-[3-(4-methylpiperidin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide?

The InChIKey is PURDNQRUAXESLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H38F2N4O6/c1-24-11-16-44(17-12-24)15-3-18-49-35-22-31-29(21-34(35)48-2)32(10-14-42-31)51-33-9-6-27(20-30(33)41)43-38(46)36-37-25(13-19-50-37)23-45(39(36)47)28-7-4-26(40)5-8-28/h4-10,14,20-24H,3,11-13,15-19H2,1-2H3,(H,43,46).

What are the key properties of N-[3-fluoro-4-[6-methoxy-7-[3-(4-methylpiperidin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide?

N-[3-fluoro-4-[6-methoxy-7-[3-(4-methylpiperidin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide has a molecular weight of 696.75 g/mol, XLogP of 7.15, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-fluoro-4-[6-methoxy-7-[3-(4-methylpiperidin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 155779517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).