N'-[3-fluoro-4-[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinolin-4-yl]oxyphenyl]-N-[[4-(fluoromethyl)phenyl]methyl]oxamide

C33H34F2N4O5 — CID 118612150

About N'-[3-fluoro-4-[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinolin-4-yl]oxyphenyl]-N-[[4-(fluoromethyl)phenyl]methyl]oxamide

N'-[3-fluoro-4-[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinolin-4-yl]oxyphenyl]-N-[[4-(fluoromethyl)phenyl]methyl]oxamide (PubChem CID 118612150) has the molecular formula C33H34F2N4O5 and a molecular weight of 604.65 g/mol. Its IUPAC name is N'-[3-fluoro-4-[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinolin-4-yl]oxyphenyl]-N-[[4-(fluoromethyl)phenyl]methyl]oxamide.

Molecular Properties

• Compound Name: N'-[3-fluoro-4-[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinolin-4-yl]oxyphenyl]-N-[[4-(fluoromethyl)phenyl]methyl]oxamide
• PubChem CID: 118612150
• Molecular Formula: C33H34F2N4O5
• Molecular Weight: 604.65 g/mol
• Exact Mass: 604.25
• IUPAC Name: N'-[3-fluoro-4-[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinolin-4-yl]oxyphenyl]-N-[[4-(fluoromethyl)phenyl]methyl]oxamide
• SMILES: COc1cc2c(Oc3ccc(NC(=O)C(=O)NCc4ccc(CF)cc4)cc3F)ccnc2cc1OCC1CCN(C)CC1
• InChI: InChI=1S/C33H34F2N4O5/c1-39-13-10-23(11-14-39)20-43-31-17-27-25(16-30(31)42-2)28(9-12-36-27)44-29-8-7-24(15-26(29)35)38-33(41)32(40)37-19-22-5-3-21(18-34)4-6-22/h3-9,12,15-17,23H,10-11,13-14,18-20H2,1-2H3,(H,37,40)(H,38,41)
• InChIKey: FMABKZGENIVVHG-UHFFFAOYSA-N
• XLogP: 5.62
• TPSA: 102.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	604.65
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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-methylpiperidin-4-yl)methoxy]quinolin-4-yl]oxyphenyl]-N-[[4-(fluoromethyl)phenyl]methyl]oxamide?

The IUPAC name of N'-[3-fluoro-4-[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinolin-4-yl]oxyphenyl]-N-[[4-(fluoromethyl)phenyl]methyl]oxamide (CID 118612150) is N'-[3-fluoro-4-[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinolin-4-yl]oxyphenyl]-N-[[4-(fluoromethyl)phenyl]methyl]oxamide.

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

The canonical SMILES for N'-[3-fluoro-4-[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinolin-4-yl]oxyphenyl]-N-[[4-(fluoromethyl)phenyl]methyl]oxamide is COc1cc2c(Oc3ccc(NC(=O)C(=O)NCc4ccc(CF)cc4)cc3F)ccnc2cc1OCC1CCN(C)CC1.

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

The InChIKey is FMABKZGENIVVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34F2N4O5/c1-39-13-10-23(11-14-39)20-43-31-17-27-25(16-30(31)42-2)28(9-12-36-27)44-29-8-7-24(15-26(29)35)38-33(41)32(40)37-19-22-5-3-21(18-34)4-6-22/h3-9,12,15-17,23H,10-11,13-14,18-20H2,1-2H3,(H,37,40)(H,38,41).

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

N'-[3-fluoro-4-[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinolin-4-yl]oxyphenyl]-N-[[4-(fluoromethyl)phenyl]methyl]oxamide has a molecular weight of 604.65 g/mol, XLogP of 5.62, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[3-fluoro-4-[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinolin-4-yl]oxyphenyl]-N-[[4-(fluoromethyl)phenyl]methyl]oxamide is sourced from PubChem (CID 118612150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).