6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide

C41H44F3N5O5 — CID 59813767

About 6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide

6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide (PubChem CID 59813767) has the molecular formula C41H44F3N5O5 and a molecular weight of 743.83 g/mol. Its IUPAC name is 6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide.

Molecular Properties

• Compound Name: 6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
• PubChem CID: 59813767
• Molecular Formula: C41H44F3N5O5
• Molecular Weight: 743.83 g/mol
• Exact Mass: 743.33
• IUPAC Name: 6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
• SMILES: COc1cc2c(Oc3ccc4c(C(=O)Nc5cc(CN6CCN(C)CC6)cc(C(F)(F)F)c5)cccc4c3)ccnc2cc1OCCCN1CCOCC1
• InChI: InChI=1S/C41H44F3N5O5/c1-47-12-14-49(15-13-47)27-28-21-30(41(42,43)44)24-31(22-28)46-40(50)34-6-3-5-29-23-32(7-8-33(29)34)54-37-9-10-45-36-26-39(38(51-2)25-35(36)37)53-18-4-11-48-16-19-52-20-17-48/h3,5-10,21-26H,4,11-20,27H2,1-2H3,(H,46,50)
• InChIKey: UAGWCXMVTOFLGC-UHFFFAOYSA-N
• XLogP: 7.31
• TPSA: 88.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	743.83
LogP ≤ 5	7.31
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 6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?

The IUPAC name of 6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide (CID 59813767) is 6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide.

What is the SMILES notation for 6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?

The canonical SMILES for 6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide is COc1cc2c(Oc3ccc4c(C(=O)Nc5cc(CN6CCN(C)CC6)cc(C(F)(F)F)c5)cccc4c3)ccnc2cc1OCCCN1CCOCC1.

What is the InChIKey of 6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?

The InChIKey is UAGWCXMVTOFLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H44F3N5O5/c1-47-12-14-49(15-13-47)27-28-21-30(41(42,43)44)24-31(22-28)46-40(50)34-6-3-5-29-23-32(7-8-33(29)34)54-37-9-10-45-36-26-39(38(51-2)25-35(36)37)53-18-4-11-48-16-19-52-20-17-48/h3,5-10,21-26H,4,11-20,27H2,1-2H3,(H,46,50).

What are the key properties of 6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?

6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide has a molecular weight of 743.83 g/mol, XLogP of 7.31, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 59813767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).