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

C31H26F2N4O5 — CID 154975809

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

5-(3,4-difluorophenyl)-N-[3-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide (PubChem CID 154975809) has the molecular formula C31H26F2N4O5 and a molecular weight of 572.57 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-N-[3-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(3,4-difluorophenyl)-N-[3-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide
• PubChem CID: 154975809
• Molecular Formula: C31H26F2N4O5
• Molecular Weight: 572.57 g/mol
• Exact Mass: 572.19
• IUPAC Name: 5-(3,4-difluorophenyl)-N-[3-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide
• SMILES: COc1cc2nccc(Oc3cccnc3NC(=O)c3cn(C(C)C)cc(-c4ccc(F)c(F)c4)c3=O)c2cc1OC
• InChI: InChI=1S/C31H26F2N4O5/c1-17(2)37-15-20(18-7-8-22(32)23(33)12-18)29(38)21(16-37)31(39)36-30-26(6-5-10-35-30)42-25-9-11-34-24-14-28(41-4)27(40-3)13-19(24)25/h5-17H,1-4H3,(H,35,36,39)
• InChIKey: ADFJBXBIOOLZSP-UHFFFAOYSA-N
• XLogP: 6.38
• TPSA: 104.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	572.57
LogP ≤ 5	6.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-(3,4-difluorophenyl)-N-[3-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide (CID 154975809) is 5-(3,4-difluorophenyl)-N-[3-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide.

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

The canonical SMILES for 5-(3,4-difluorophenyl)-N-[3-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide is COc1cc2nccc(Oc3cccnc3NC(=O)c3cn(C(C)C)cc(-c4ccc(F)c(F)c4)c3=O)c2cc1OC.

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

The InChIKey is ADFJBXBIOOLZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26F2N4O5/c1-17(2)37-15-20(18-7-8-22(32)23(33)12-18)29(38)21(16-37)31(39)36-30-26(6-5-10-35-30)42-25-9-11-34-24-14-28(41-4)27(40-3)13-19(24)25/h5-17H,1-4H3,(H,35,36,39).

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

5-(3,4-difluorophenyl)-N-[3-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide has a molecular weight of 572.57 g/mol, XLogP of 6.38, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,4-difluorophenyl)-N-[3-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 154975809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).