1-N-[[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]methyl]-1-N'-(4-fluorophenyl)-2,2-dimethylcyclopropane-1,1-dicarboxamide

C37H40F2N4O6 — CID 143025840

About 1-N-[[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]methyl]-1-N'-(4-fluorophenyl)-2,2-dimethylcyclopropane-1,1-dicarboxamide

1-N-[[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]methyl]-1-N'-(4-fluorophenyl)-2,2-dimethylcyclopropane-1,1-dicarboxamide (PubChem CID 143025840) has the molecular formula C37H40F2N4O6 and a molecular weight of 674.75 g/mol. Its IUPAC name is 1-N-[[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]methyl]-1-N'-(4-fluorophenyl)-2,2-dimethylcyclopropane-1,1-dicarboxamide.

Molecular Properties

• Compound Name: 1-N-[[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]methyl]-1-N'-(4-fluorophenyl)-2,2-dimethylcyclopropane-1,1-dicarboxamide
• PubChem CID: 143025840
• Molecular Formula: C37H40F2N4O6
• Molecular Weight: 674.75 g/mol
• Exact Mass: 674.29
• IUPAC Name: 1-N-[[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]methyl]-1-N'-(4-fluorophenyl)-2,2-dimethylcyclopropane-1,1-dicarboxamide
• SMILES: COc1cc2c(Oc3ccc(CNC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4(C)C)cc3F)ccnc2cc1OCCCN1CCOCC1
• InChI: InChI=1S/C37H40F2N4O6/c1-36(2)23-37(36,35(45)42-26-8-6-25(38)7-9-26)34(44)41-22-24-5-10-31(28(39)19-24)49-30-11-12-40-29-21-33(32(46-3)20-27(29)30)48-16-4-13-43-14-17-47-18-15-43/h5-12,19-21H,4,13-18,22-23H2,1-3H3,(H,41,44)(H,42,45)
• InChIKey: DHHYDUYVOQZLMK-UHFFFAOYSA-N
• XLogP: 6.09
• TPSA: 111.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	674.75
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-N-[[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]methyl]-1-N'-(4-fluorophenyl)-2,2-dimethylcyclopropane-1,1-dicarboxamide?

The IUPAC name of 1-N-[[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]methyl]-1-N'-(4-fluorophenyl)-2,2-dimethylcyclopropane-1,1-dicarboxamide (CID 143025840) is 1-N-[[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]methyl]-1-N'-(4-fluorophenyl)-2,2-dimethylcyclopropane-1,1-dicarboxamide.

What is the SMILES notation for 1-N-[[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]methyl]-1-N'-(4-fluorophenyl)-2,2-dimethylcyclopropane-1,1-dicarboxamide?

The canonical SMILES for 1-N-[[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]methyl]-1-N'-(4-fluorophenyl)-2,2-dimethylcyclopropane-1,1-dicarboxamide is COc1cc2c(Oc3ccc(CNC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4(C)C)cc3F)ccnc2cc1OCCCN1CCOCC1.

What is the InChIKey of 1-N-[[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]methyl]-1-N'-(4-fluorophenyl)-2,2-dimethylcyclopropane-1,1-dicarboxamide?

The InChIKey is DHHYDUYVOQZLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H40F2N4O6/c1-36(2)23-37(36,35(45)42-26-8-6-25(38)7-9-26)34(44)41-22-24-5-10-31(28(39)19-24)49-30-11-12-40-29-21-33(32(46-3)20-27(29)30)48-16-4-13-43-14-17-47-18-15-43/h5-12,19-21H,4,13-18,22-23H2,1-3H3,(H,41,44)(H,42,45).

What are the key properties of 1-N-[[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]methyl]-1-N'-(4-fluorophenyl)-2,2-dimethylcyclopropane-1,1-dicarboxamide?

1-N-[[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]methyl]-1-N'-(4-fluorophenyl)-2,2-dimethylcyclopropane-1,1-dicarboxamide has a molecular weight of 674.75 g/mol, XLogP of 6.09, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-[[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]methyl]-1-N'-(4-fluorophenyl)-2,2-dimethylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 143025840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).