N'-[3-fluoro-4-[6-methoxy-7-(1-piperidin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-N-[(4-methoxyphenyl)methyl]oxamide

C33H35FN4O6 — CID 66669362

About N'-[3-fluoro-4-[6-methoxy-7-(1-piperidin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-N-[(4-methoxyphenyl)methyl]oxamide

N'-[3-fluoro-4-[6-methoxy-7-(1-piperidin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-N-[(4-methoxyphenyl)methyl]oxamide (PubChem CID 66669362) has the molecular formula C33H35FN4O6 and a molecular weight of 602.66 g/mol. Its IUPAC name is N'-[3-fluoro-4-[6-methoxy-7-(1-piperidin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-N-[(4-methoxyphenyl)methyl]oxamide.

Molecular Properties

• Compound Name: N'-[3-fluoro-4-[6-methoxy-7-(1-piperidin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-N-[(4-methoxyphenyl)methyl]oxamide
• PubChem CID: 66669362
• Molecular Formula: C33H35FN4O6
• Molecular Weight: 602.66 g/mol
• Exact Mass: 602.25
• IUPAC Name: N'-[3-fluoro-4-[6-methoxy-7-(1-piperidin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-N-[(4-methoxyphenyl)methyl]oxamide
• SMILES: COc1ccc(CNC(=O)C(=O)Nc2ccc(Oc3ccnc4cc(OC(C)C5CCNCC5)c(OC)cc34)c(F)c2)cc1
• InChI: InChI=1S/C33H35FN4O6/c1-20(22-10-13-35-14-11-22)43-31-18-27-25(17-30(31)42-3)28(12-15-36-27)44-29-9-6-23(16-26(29)34)38-33(40)32(39)37-19-21-4-7-24(41-2)8-5-21/h4-9,12,15-18,20,22,35H,10-11,13-14,19H2,1-3H3,(H,37,39)(H,38,40)
• InChIKey: VFZQNFJEWASTOM-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 120.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	602.66
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-[3-fluoro-4-[6-methoxy-7-(1-piperidin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-N-[(4-methoxyphenyl)methyl]oxamide?

The IUPAC name of N'-[3-fluoro-4-[6-methoxy-7-(1-piperidin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-N-[(4-methoxyphenyl)methyl]oxamide (CID 66669362) is N'-[3-fluoro-4-[6-methoxy-7-(1-piperidin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-N-[(4-methoxyphenyl)methyl]oxamide.

What is the SMILES notation for N'-[3-fluoro-4-[6-methoxy-7-(1-piperidin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-N-[(4-methoxyphenyl)methyl]oxamide?

The canonical SMILES for N'-[3-fluoro-4-[6-methoxy-7-(1-piperidin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-N-[(4-methoxyphenyl)methyl]oxamide is COc1ccc(CNC(=O)C(=O)Nc2ccc(Oc3ccnc4cc(OC(C)C5CCNCC5)c(OC)cc34)c(F)c2)cc1.

What is the InChIKey of N'-[3-fluoro-4-[6-methoxy-7-(1-piperidin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-N-[(4-methoxyphenyl)methyl]oxamide?

The InChIKey is VFZQNFJEWASTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35FN4O6/c1-20(22-10-13-35-14-11-22)43-31-18-27-25(17-30(31)42-3)28(12-15-36-27)44-29-9-6-23(16-26(29)34)38-33(40)32(39)37-19-21-4-7-24(41-2)8-5-21/h4-9,12,15-18,20,22,35H,10-11,13-14,19H2,1-3H3,(H,37,39)(H,38,40).

What are the key properties of N'-[3-fluoro-4-[6-methoxy-7-(1-piperidin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-N-[(4-methoxyphenyl)methyl]oxamide?

N'-[3-fluoro-4-[6-methoxy-7-(1-piperidin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-N-[(4-methoxyphenyl)methyl]oxamide has a molecular weight of 602.66 g/mol, XLogP of 5.21, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[3-fluoro-4-[6-methoxy-7-(1-piperidin-4-ylethoxy)quinolin-4-yl]oxyphenyl]-N-[(4-methoxyphenyl)methyl]oxamide is sourced from PubChem (CID 66669362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).