6-benzyl-3-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1H-pyridin-2-one

C35H34FN3O5 — CID 24865419

About 6-benzyl-3-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1H-pyridin-2-one

6-benzyl-3-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1H-pyridin-2-one (PubChem CID 24865419) has the molecular formula C35H34FN3O5 and a molecular weight of 595.67 g/mol. Its IUPAC name is 6-benzyl-3-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 6-benzyl-3-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1H-pyridin-2-one
• PubChem CID: 24865419
• Molecular Formula: C35H34FN3O5
• Molecular Weight: 595.67 g/mol
• Exact Mass: 595.25
• IUPAC Name: 6-benzyl-3-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1H-pyridin-2-one
• SMILES: COc1cc2c(Oc3ccc(-c4ccc(Cc5ccccc5)[nH]c4=O)cc3F)ccnc2cc1OCCCN1CCOCC1
• InChI: InChI=1S/C35H34FN3O5/c1-41-33-22-28-30(23-34(33)43-17-5-14-39-15-18-42-19-16-39)37-13-12-31(28)44-32-11-8-25(21-29(32)36)27-10-9-26(38-35(27)40)20-24-6-3-2-4-7-24/h2-4,6-13,21-23H,5,14-20H2,1H3,(H,38,40)
• InChIKey: WRPWIMUEGZEMOX-UHFFFAOYSA-N
• XLogP: 6.22
• TPSA: 85.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	595.67
LogP ≤ 5	6.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-3-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1H-pyridin-2-one?

The IUPAC name of 6-benzyl-3-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1H-pyridin-2-one (CID 24865419) is 6-benzyl-3-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1H-pyridin-2-one.

What is the SMILES notation for 6-benzyl-3-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1H-pyridin-2-one?

The canonical SMILES for 6-benzyl-3-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1H-pyridin-2-one is COc1cc2c(Oc3ccc(-c4ccc(Cc5ccccc5)[nH]c4=O)cc3F)ccnc2cc1OCCCN1CCOCC1.

What is the InChIKey of 6-benzyl-3-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1H-pyridin-2-one?

The InChIKey is WRPWIMUEGZEMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34FN3O5/c1-41-33-22-28-30(23-34(33)43-17-5-14-39-15-18-42-19-16-39)37-13-12-31(28)44-32-11-8-25(21-29(32)36)27-10-9-26(38-35(27)40)20-24-6-3-2-4-7-24/h2-4,6-13,21-23H,5,14-20H2,1H3,(H,38,40).

What are the key properties of 6-benzyl-3-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1H-pyridin-2-one?

6-benzyl-3-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1H-pyridin-2-one has a molecular weight of 595.67 g/mol, XLogP of 6.22, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-benzyl-3-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1H-pyridin-2-one is sourced from PubChem (CID 24865419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).