N'-[4-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N-[(4Z,6Z)-nona-4,6-dienyl]oxamide

C34H43FN4O5 — CID 130443570

About N'-[4-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N-[(4Z,6Z)-nona-4,6-dienyl]oxamide

N'-[4-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N-[(4Z,6Z)-nona-4,6-dienyl]oxamide (PubChem CID 130443570) has the molecular formula C34H43FN4O5 and a molecular weight of 606.74 g/mol. Its IUPAC name is N'-[4-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N-[(4Z,6Z)-nona-4,6-dienyl]oxamide.

Molecular Properties

• Compound Name: N'-[4-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N-[(4Z,6Z)-nona-4,6-dienyl]oxamide
• PubChem CID: 130443570
• Molecular Formula: C34H43FN4O5
• Molecular Weight: 606.74 g/mol
• Exact Mass: 606.32
• IUPAC Name: N'-[4-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N-[(4Z,6Z)-nona-4,6-dienyl]oxamide
• SMILES: CC/C=C\C=C/CCCNC(=O)C(=O)Nc1ccc(Oc2ccnc3cc(OCCCN(CC)CC)c(OC)cc23)c(F)c1
• InChI: InChI=1S/C34H43FN4O5/c1-5-8-9-10-11-12-13-18-37-33(40)34(41)38-25-15-16-30(27(35)22-25)44-29-17-19-36-28-24-32(31(42-4)23-26(28)29)43-21-14-20-39(6-2)7-3/h8-11,15-17,19,22-24H,5-7,12-14,18,20-21H2,1-4H3,(H,37,40)(H,38,41)/b9-8-,11-10-
• InChIKey: NZJHWZDPBVZTBU-XESWYYRISA-N
• XLogP: 6.64
• TPSA: 102.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 17
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	606.74
LogP ≤ 5	6.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-[4-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N-[(4Z,6Z)-nona-4,6-dienyl]oxamide?

The IUPAC name of N'-[4-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N-[(4Z,6Z)-nona-4,6-dienyl]oxamide (CID 130443570) is N'-[4-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N-[(4Z,6Z)-nona-4,6-dienyl]oxamide.

What is the SMILES notation for N'-[4-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N-[(4Z,6Z)-nona-4,6-dienyl]oxamide?

The canonical SMILES for N'-[4-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N-[(4Z,6Z)-nona-4,6-dienyl]oxamide is CC/C=C\C=C/CCCNC(=O)C(=O)Nc1ccc(Oc2ccnc3cc(OCCCN(CC)CC)c(OC)cc23)c(F)c1.

What is the InChIKey of N'-[4-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N-[(4Z,6Z)-nona-4,6-dienyl]oxamide?

The InChIKey is NZJHWZDPBVZTBU-XESWYYRISA-N. The full InChI is InChI=1S/C34H43FN4O5/c1-5-8-9-10-11-12-13-18-37-33(40)34(41)38-25-15-16-30(27(35)22-25)44-29-17-19-36-28-24-32(31(42-4)23-26(28)29)43-21-14-20-39(6-2)7-3/h8-11,15-17,19,22-24H,5-7,12-14,18,20-21H2,1-4H3,(H,37,40)(H,38,41)/b9-8-,11-10-.

What are the key properties of N'-[4-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N-[(4Z,6Z)-nona-4,6-dienyl]oxamide?

N'-[4-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N-[(4Z,6Z)-nona-4,6-dienyl]oxamide has a molecular weight of 606.74 g/mol, XLogP of 6.64, 17 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[4-[7-[3-(diethylamino)propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-N-[(4Z,6Z)-nona-4,6-dienyl]oxamide is sourced from PubChem (CID 130443570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).