5-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-4-(2-methoxyethylamino)-2-oxo-1-phenylpyridine-3-carboxamide

C31H27FN4O5 — CID 142692199

About 5-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-4-(2-methoxyethylamino)-2-oxo-1-phenylpyridine-3-carboxamide

5-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-4-(2-methoxyethylamino)-2-oxo-1-phenylpyridine-3-carboxamide (PubChem CID 142692199) has the molecular formula C31H27FN4O5 and a molecular weight of 554.58 g/mol. Its IUPAC name is 5-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-4-(2-methoxyethylamino)-2-oxo-1-phenylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-4-(2-methoxyethylamino)-2-oxo-1-phenylpyridine-3-carboxamide
• PubChem CID: 142692199
• Molecular Formula: C31H27FN4O5
• Molecular Weight: 554.58 g/mol
• Exact Mass: 554.20
• IUPAC Name: 5-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-4-(2-methoxyethylamino)-2-oxo-1-phenylpyridine-3-carboxamide
• SMILES: COCCNc1c(-c2ccc(Oc3ccnc4cc(OC)ccc34)c(F)c2)cn(-c2ccccc2)c(=O)c1C(N)=O
• InChI: InChI=1S/C31H27FN4O5/c1-39-15-14-35-29-23(18-36(20-6-4-3-5-7-20)31(38)28(29)30(33)37)19-8-11-27(24(32)16-19)41-26-12-13-34-25-17-21(40-2)9-10-22(25)26/h3-13,16-18,35H,14-15H2,1-2H3,(H2,33,37)
• InChIKey: IUDVPGFEHJTNST-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 117.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	554.58
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-4-(2-methoxyethylamino)-2-oxo-1-phenylpyridine-3-carboxamide?

The IUPAC name of 5-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-4-(2-methoxyethylamino)-2-oxo-1-phenylpyridine-3-carboxamide (CID 142692199) is 5-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-4-(2-methoxyethylamino)-2-oxo-1-phenylpyridine-3-carboxamide.

What is the SMILES notation for 5-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-4-(2-methoxyethylamino)-2-oxo-1-phenylpyridine-3-carboxamide?

The canonical SMILES for 5-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-4-(2-methoxyethylamino)-2-oxo-1-phenylpyridine-3-carboxamide is COCCNc1c(-c2ccc(Oc3ccnc4cc(OC)ccc34)c(F)c2)cn(-c2ccccc2)c(=O)c1C(N)=O.

What is the InChIKey of 5-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-4-(2-methoxyethylamino)-2-oxo-1-phenylpyridine-3-carboxamide?

The InChIKey is IUDVPGFEHJTNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27FN4O5/c1-39-15-14-35-29-23(18-36(20-6-4-3-5-7-20)31(38)28(29)30(33)37)19-8-11-27(24(32)16-19)41-26-12-13-34-25-17-21(40-2)9-10-22(25)26/h3-13,16-18,35H,14-15H2,1-2H3,(H2,33,37).

What are the key properties of 5-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-4-(2-methoxyethylamino)-2-oxo-1-phenylpyridine-3-carboxamide?

5-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-4-(2-methoxyethylamino)-2-oxo-1-phenylpyridine-3-carboxamide has a molecular weight of 554.58 g/mol, XLogP of 5.15, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-4-(2-methoxyethylamino)-2-oxo-1-phenylpyridine-3-carboxamide is sourced from PubChem (CID 142692199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).