N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]-3,5-dimethyl-2-oxo-1-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxamide

C37H37F4N5O6 — CID 141406123

About N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]-3,5-dimethyl-2-oxo-1-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxamide

N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]-3,5-dimethyl-2-oxo-1-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxamide (PubChem CID 141406123) has the molecular formula C37H37F4N5O6 and a molecular weight of 723.72 g/mol. Its IUPAC name is N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]-3,5-dimethyl-2-oxo-1-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]-3,5-dimethyl-2-oxo-1-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxamide
• PubChem CID: 141406123
• Molecular Formula: C37H37F4N5O6
• Molecular Weight: 723.72 g/mol
• Exact Mass: 723.27
• IUPAC Name: N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]-3,5-dimethyl-2-oxo-1-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxamide
• SMILES: COc1cc2c(Oc3ccc(NC(=O)c4c(C)n(-c5ccc(OC(F)(F)F)cc5)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCCCC1
• InChI: InChI=1S/C37H37F4N5O6/c1-23-34(44(2)36(48)46(23)25-9-11-26(12-10-25)52-37(39,40)41)35(47)43-24-8-13-31(28(38)20-24)51-30-14-15-42-29-22-33(32(49-3)21-27(29)30)50-19-7-18-45-16-5-4-6-17-45/h8-15,20-22H,4-7,16-19H2,1-3H3,(H,43,47)
• InChIKey: PHIHKRGIAIHVQZ-UHFFFAOYSA-N
• XLogP: 7.38
• TPSA: 109.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	723.72
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-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]-3,5-dimethyl-2-oxo-1-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxamide?

The IUPAC name of N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]-3,5-dimethyl-2-oxo-1-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxamide (CID 141406123) is N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]-3,5-dimethyl-2-oxo-1-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxamide.

What is the SMILES notation for N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]-3,5-dimethyl-2-oxo-1-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxamide?

The canonical SMILES for N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]-3,5-dimethyl-2-oxo-1-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxamide is COc1cc2c(Oc3ccc(NC(=O)c4c(C)n(-c5ccc(OC(F)(F)F)cc5)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCCCC1.

What is the InChIKey of N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]-3,5-dimethyl-2-oxo-1-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxamide?

The InChIKey is PHIHKRGIAIHVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37F4N5O6/c1-23-34(44(2)36(48)46(23)25-9-11-26(12-10-25)52-37(39,40)41)35(47)43-24-8-13-31(28(38)20-24)51-30-14-15-42-29-22-33(32(49-3)21-27(29)30)50-19-7-18-45-16-5-4-6-17-45/h8-15,20-22H,4-7,16-19H2,1-3H3,(H,43,47).

What are the key properties of N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]-3,5-dimethyl-2-oxo-1-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxamide?

N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]-3,5-dimethyl-2-oxo-1-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxamide has a molecular weight of 723.72 g/mol, XLogP of 7.38, 12 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]-3,5-dimethyl-2-oxo-1-[4-(trifluoromethoxy)phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 141406123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).