5-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-2,5-dicarboxamide

C33H28F2N4O6 — CID 146746007

About 5-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-2,5-dicarboxamide

5-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-2,5-dicarboxamide (PubChem CID 146746007) has the molecular formula C33H28F2N4O6 and a molecular weight of 614.61 g/mol. Its IUPAC name is 5-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-2,5-dicarboxamide.

Molecular Properties

• Compound Name: 5-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-2,5-dicarboxamide
• PubChem CID: 146746007
• Molecular Formula: C33H28F2N4O6
• Molecular Weight: 614.61 g/mol
• Exact Mass: 614.20
• IUPAC Name: 5-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-2,5-dicarboxamide
• SMILES: COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c(C(N)=O)c(-c5ccc(F)cc5)c4=O)cc3F)c2cc1OC
• InChI: InChI=1S/C33H28F2N4O6/c1-17(2)39-16-22(31(40)29(30(39)32(36)41)18-5-7-19(34)8-6-18)33(42)38-20-9-10-26(23(35)13-20)45-25-11-12-37-24-15-28(44-4)27(43-3)14-21(24)25/h5-17H,1-4H3,(H2,36,41)(H,38,42)
• InChIKey: RMAHEOGXKOFXDY-UHFFFAOYSA-N
• XLogP: 6.08
• TPSA: 134.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	614.61
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-2,5-dicarboxamide?

The IUPAC name of 5-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-2,5-dicarboxamide (CID 146746007) is 5-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-2,5-dicarboxamide.

What is the SMILES notation for 5-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-2,5-dicarboxamide?

The canonical SMILES for 5-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-2,5-dicarboxamide is COc1cc2nccc(Oc3ccc(NC(=O)c4cn(C(C)C)c(C(N)=O)c(-c5ccc(F)cc5)c4=O)cc3F)c2cc1OC.

What is the InChIKey of 5-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-2,5-dicarboxamide?

The InChIKey is RMAHEOGXKOFXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28F2N4O6/c1-17(2)39-16-22(31(40)29(30(39)32(36)41)18-5-7-19(34)8-6-18)33(42)38-20-9-10-26(23(35)13-20)45-25-11-12-37-24-15-28(44-4)27(43-3)14-21(24)25/h5-17H,1-4H3,(H2,36,41)(H,38,42).

What are the key properties of 5-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-2,5-dicarboxamide?

5-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-2,5-dicarboxamide has a molecular weight of 614.61 g/mol, XLogP of 6.08, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-2,5-dicarboxamide is sourced from PubChem (CID 146746007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).