6-amino-N-[2,3-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide

C26H25F2N5O5 — CID 168842833

About 6-amino-N-[2,3-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide

6-amino-N-[2,3-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide (PubChem CID 168842833) has the molecular formula C26H25F2N5O5 and a molecular weight of 525.51 g/mol. Its IUPAC name is 6-amino-N-[2,3-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-amino-N-[2,3-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide
• PubChem CID: 168842833
• Molecular Formula: C26H25F2N5O5
• Molecular Weight: 525.51 g/mol
• Exact Mass: 525.18
• IUPAC Name: 6-amino-N-[2,3-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide
• SMILES: CNCCOc1cc2nccc(Oc3ccc(NC(=O)c4cnc(N)cc4OC)c(F)c3F)c2cc1OC
• InChI: InChI=1S/C26H25F2N5O5/c1-30-8-9-37-22-11-17-14(10-21(22)36-3)18(6-7-31-17)38-19-5-4-16(24(27)25(19)28)33-26(34)15-13-32-23(29)12-20(15)35-2/h4-7,10-13,30H,8-9H2,1-3H3,(H2,29,32)(H,33,34)
• InChIKey: GKTKCKGZBNGXOL-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 129.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.51
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[2,3-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide?

The IUPAC name of 6-amino-N-[2,3-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide (CID 168842833) is 6-amino-N-[2,3-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide.

What is the SMILES notation for 6-amino-N-[2,3-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide?

The canonical SMILES for 6-amino-N-[2,3-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide is CNCCOc1cc2nccc(Oc3ccc(NC(=O)c4cnc(N)cc4OC)c(F)c3F)c2cc1OC.

What is the InChIKey of 6-amino-N-[2,3-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide?

The InChIKey is GKTKCKGZBNGXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N5O5/c1-30-8-9-37-22-11-17-14(10-21(22)36-3)18(6-7-31-17)38-19-5-4-16(24(27)25(19)28)33-26(34)15-13-32-23(29)12-20(15)35-2/h4-7,10-13,30H,8-9H2,1-3H3,(H2,29,32)(H,33,34).

What are the key properties of 6-amino-N-[2,3-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide?

6-amino-N-[2,3-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide has a molecular weight of 525.51 g/mol, XLogP of 4.15, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-N-[2,3-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-4-methoxypyridine-3-carboxamide is sourced from PubChem (CID 168842833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).