4-cyclopropyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-6-methylpyridine-3-carboxamide

C29H28F2N4O5 — CID 168842767

About 4-cyclopropyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-6-methylpyridine-3-carboxamide

4-cyclopropyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-6-methylpyridine-3-carboxamide (PubChem CID 168842767) has the molecular formula C29H28F2N4O5 and a molecular weight of 550.56 g/mol. Its IUPAC name is 4-cyclopropyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-cyclopropyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-6-methylpyridine-3-carboxamide
• PubChem CID: 168842767
• Molecular Formula: C29H28F2N4O5
• Molecular Weight: 550.56 g/mol
• Exact Mass: 550.20
• IUPAC Name: 4-cyclopropyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-6-methylpyridine-3-carboxamide
• SMILES: CNCCOc1cc2nccc(Oc3c(F)cc(NC(=O)c4cnc(C)cc4OC4CC4)cc3F)c2cc1OC
• InChI: InChI=1S/C29H28F2N4O5/c1-16-10-25(39-18-4-5-18)20(15-34-16)29(36)35-17-11-21(30)28(22(31)12-17)40-24-6-7-33-23-14-27(38-9-8-32-2)26(37-3)13-19(23)24/h6-7,10-15,18,32H,4-5,8-9H2,1-3H3,(H,35,36)
• InChIKey: QSZNGUIZOKBKBG-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 103.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	550.56
LogP ≤ 5	5.41
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 4-cyclopropyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-6-methylpyridine-3-carboxamide?

The IUPAC name of 4-cyclopropyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-6-methylpyridine-3-carboxamide (CID 168842767) is 4-cyclopropyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-6-methylpyridine-3-carboxamide.

What is the SMILES notation for 4-cyclopropyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-6-methylpyridine-3-carboxamide?

The canonical SMILES for 4-cyclopropyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-6-methylpyridine-3-carboxamide is CNCCOc1cc2nccc(Oc3c(F)cc(NC(=O)c4cnc(C)cc4OC4CC4)cc3F)c2cc1OC.

What is the InChIKey of 4-cyclopropyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-6-methylpyridine-3-carboxamide?

The InChIKey is QSZNGUIZOKBKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F2N4O5/c1-16-10-25(39-18-4-5-18)20(15-34-16)29(36)35-17-11-21(30)28(22(31)12-17)40-24-6-7-33-23-14-27(38-9-8-32-2)26(37-3)13-19(23)24/h6-7,10-15,18,32H,4-5,8-9H2,1-3H3,(H,35,36).

What are the key properties of 4-cyclopropyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-6-methylpyridine-3-carboxamide?

4-cyclopropyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-6-methylpyridine-3-carboxamide has a molecular weight of 550.56 g/mol, XLogP of 5.41, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclopropyloxy-N-[3,5-difluoro-4-[6-methoxy-7-[2-(methylamino)ethoxy]quinolin-4-yl]oxyphenyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 168842767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).