6-cyclopropyl-N-[3-fluoro-4-(3-fluoro-6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-(4-methyl-6-oxo-1H-pyridin-3-yl)-2-oxopyridine-3-carboxamide

C32H26F2N4O6 — CID 177004471

About 6-cyclopropyl-N-[3-fluoro-4-(3-fluoro-6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-(4-methyl-6-oxo-1H-pyridin-3-yl)-2-oxopyridine-3-carboxamide

6-cyclopropyl-N-[3-fluoro-4-(3-fluoro-6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-(4-methyl-6-oxo-1H-pyridin-3-yl)-2-oxopyridine-3-carboxamide (PubChem CID 177004471) has the molecular formula C32H26F2N4O6 and a molecular weight of 600.58 g/mol. Its IUPAC name is 6-cyclopropyl-N-[3-fluoro-4-(3-fluoro-6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-(4-methyl-6-oxo-1H-pyridin-3-yl)-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-cyclopropyl-N-[3-fluoro-4-(3-fluoro-6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-(4-methyl-6-oxo-1H-pyridin-3-yl)-2-oxopyridine-3-carboxamide
• PubChem CID: 177004471
• Molecular Formula: C32H26F2N4O6
• Molecular Weight: 600.58 g/mol
• Exact Mass: 600.18
• IUPAC Name: 6-cyclopropyl-N-[3-fluoro-4-(3-fluoro-6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-(4-methyl-6-oxo-1H-pyridin-3-yl)-2-oxopyridine-3-carboxamide
• SMILES: COc1cc2ncc(F)c(Oc3ccc(NC(=O)c4ccc(C5CC5)n(-c5c[nH]c(=O)cc5C)c4=O)cc3F)c2cc1OC
• InChI: InChI=1S/C32H26F2N4O6/c1-16-10-29(39)36-15-25(16)38-24(17-4-5-17)8-7-19(32(38)41)31(40)37-18-6-9-26(21(33)11-18)44-30-20-12-27(42-2)28(43-3)13-23(20)35-14-22(30)34/h6-15,17H,4-5H2,1-3H3,(H,36,39)(H,37,40)
• InChIKey: SALKXTHXBFDATJ-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 124.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.58
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[3-fluoro-4-(3-fluoro-6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-(4-methyl-6-oxo-1H-pyridin-3-yl)-2-oxopyridine-3-carboxamide?

The IUPAC name of 6-cyclopropyl-N-[3-fluoro-4-(3-fluoro-6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-(4-methyl-6-oxo-1H-pyridin-3-yl)-2-oxopyridine-3-carboxamide (CID 177004471) is 6-cyclopropyl-N-[3-fluoro-4-(3-fluoro-6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-(4-methyl-6-oxo-1H-pyridin-3-yl)-2-oxopyridine-3-carboxamide.

What is the SMILES notation for 6-cyclopropyl-N-[3-fluoro-4-(3-fluoro-6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-(4-methyl-6-oxo-1H-pyridin-3-yl)-2-oxopyridine-3-carboxamide?

The canonical SMILES for 6-cyclopropyl-N-[3-fluoro-4-(3-fluoro-6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-(4-methyl-6-oxo-1H-pyridin-3-yl)-2-oxopyridine-3-carboxamide is COc1cc2ncc(F)c(Oc3ccc(NC(=O)c4ccc(C5CC5)n(-c5c[nH]c(=O)cc5C)c4=O)cc3F)c2cc1OC.

What is the InChIKey of 6-cyclopropyl-N-[3-fluoro-4-(3-fluoro-6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-(4-methyl-6-oxo-1H-pyridin-3-yl)-2-oxopyridine-3-carboxamide?

The InChIKey is SALKXTHXBFDATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F2N4O6/c1-16-10-29(39)36-15-25(16)38-24(17-4-5-17)8-7-19(32(38)41)31(40)37-18-6-9-26(21(33)11-18)44-30-20-12-27(42-2)28(43-3)13-23(20)35-14-22(30)34/h6-15,17H,4-5H2,1-3H3,(H,36,39)(H,37,40).

What are the key properties of 6-cyclopropyl-N-[3-fluoro-4-(3-fluoro-6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-(4-methyl-6-oxo-1H-pyridin-3-yl)-2-oxopyridine-3-carboxamide?

6-cyclopropyl-N-[3-fluoro-4-(3-fluoro-6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-(4-methyl-6-oxo-1H-pyridin-3-yl)-2-oxopyridine-3-carboxamide has a molecular weight of 600.58 g/mol, XLogP of 5.60, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-N-[3-fluoro-4-(3-fluoro-6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-(4-methyl-6-oxo-1H-pyridin-3-yl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 177004471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).