1-(4-chlorophenyl)-N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-4-oxo-1,8-naphthyridine-3-carboxamide

C38H33ClFN5O6 — CID 155679203

About 1-(4-chlorophenyl)-N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-4-oxo-1,8-naphthyridine-3-carboxamide

1-(4-chlorophenyl)-N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 155679203) has the molecular formula C38H33ClFN5O6 and a molecular weight of 710.16 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
• PubChem CID: 155679203
• Molecular Formula: C38H33ClFN5O6
• Molecular Weight: 710.16 g/mol
• Exact Mass: 709.21
• IUPAC Name: 1-(4-chlorophenyl)-N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
• SMILES: COc1cc2c(Oc3ccc(NC(=O)c4cn(-c5ccc(Cl)cc5)c5ncccc5c4=O)cc3F)ccnc2cc1OCCCN1CCOCC1
• InChI: InChI=1S/C38H33ClFN5O6/c1-48-34-21-28-31(22-35(34)50-17-3-14-44-15-18-49-19-16-44)41-13-11-32(28)51-33-10-7-25(20-30(33)40)43-38(47)29-23-45(26-8-5-24(39)6-9-26)37-27(36(29)46)4-2-12-42-37/h2,4-13,20-23H,3,14-19H2,1H3,(H,43,47)
• InChIKey: JWGVPDRDQCEMIB-UHFFFAOYSA-N
• XLogP: 6.88
• TPSA: 117.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	710.16
LogP ≤ 5	6.88
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 1-(4-chlorophenyl)-N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-4-oxo-1,8-naphthyridine-3-carboxamide?

The IUPAC name of 1-(4-chlorophenyl)-N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-4-oxo-1,8-naphthyridine-3-carboxamide (CID 155679203) is 1-(4-chlorophenyl)-N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-4-oxo-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for 1-(4-chlorophenyl)-N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-4-oxo-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for 1-(4-chlorophenyl)-N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-4-oxo-1,8-naphthyridine-3-carboxamide is COc1cc2c(Oc3ccc(NC(=O)c4cn(-c5ccc(Cl)cc5)c5ncccc5c4=O)cc3F)ccnc2cc1OCCCN1CCOCC1.

What is the InChIKey of 1-(4-chlorophenyl)-N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-4-oxo-1,8-naphthyridine-3-carboxamide?

The InChIKey is JWGVPDRDQCEMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H33ClFN5O6/c1-48-34-21-28-31(22-35(34)50-17-3-14-44-15-18-49-19-16-44)41-13-11-32(28)51-33-10-7-25(20-30(33)40)43-38(47)29-23-45(26-8-5-24(39)6-9-26)37-27(36(29)46)4-2-12-42-37/h2,4-13,20-23H,3,14-19H2,1H3,(H,43,47).

What are the key properties of 1-(4-chlorophenyl)-N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-4-oxo-1,8-naphthyridine-3-carboxamide?

1-(4-chlorophenyl)-N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 710.16 g/mol, XLogP of 6.88, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)-N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 155679203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).