N-(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-2,2,2-trifluoro-N-[2-(5-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]acetamide

C32H25F5N6O3 — CID 59631542

About N-(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-2,2,2-trifluoro-N-[2-(5-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]acetamide

N-(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-2,2,2-trifluoro-N-[2-(5-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]acetamide (PubChem CID 59631542) has the molecular formula C32H25F5N6O3 and a molecular weight of 636.58 g/mol. Its IUPAC name is N-(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-2,2,2-trifluoro-N-[2-(5-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-2,2,2-trifluoro-N-[2-(5-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]acetamide
• PubChem CID: 59631542
• Molecular Formula: C32H25F5N6O3
• Molecular Weight: 636.58 g/mol
• Exact Mass: 636.19
• IUPAC Name: N-(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-2,2,2-trifluoro-N-[2-(5-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]acetamide
• SMILES: COc1cncc(-c2ncc(N3CCOCC3)cc2N(C(=O)C(F)(F)F)c2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)c1
• InChI: InChI=1S/C32H25F5N6O3/c1-18-28(24-5-3-4-6-39-24)41-25-13-20(33)12-23(34)27(25)30(18)43(31(44)32(35,36)37)26-14-21(42-7-9-46-10-8-42)16-40-29(26)19-11-22(45-2)17-38-15-19/h3-6,11-17H,7-10H2,1-2H3
• InChIKey: QSRXIGYUSPEOBE-UHFFFAOYSA-N
• XLogP: 6.41
• TPSA: 93.57 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	636.58
LogP ≤ 5	6.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-2,2,2-trifluoro-N-[2-(5-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]acetamide?

The IUPAC name of N-(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-2,2,2-trifluoro-N-[2-(5-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]acetamide (CID 59631542) is N-(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-2,2,2-trifluoro-N-[2-(5-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]acetamide.

What is the SMILES notation for N-(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-2,2,2-trifluoro-N-[2-(5-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]acetamide?

The canonical SMILES for N-(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-2,2,2-trifluoro-N-[2-(5-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]acetamide is COc1cncc(-c2ncc(N3CCOCC3)cc2N(C(=O)C(F)(F)F)c2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)c1.

What is the InChIKey of N-(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-2,2,2-trifluoro-N-[2-(5-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]acetamide?

The InChIKey is QSRXIGYUSPEOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25F5N6O3/c1-18-28(24-5-3-4-6-39-24)41-25-13-20(33)12-23(34)27(25)30(18)43(31(44)32(35,36)37)26-14-21(42-7-9-46-10-8-42)16-40-29(26)19-11-22(45-2)17-38-15-19/h3-6,11-17H,7-10H2,1-2H3.

What are the key properties of N-(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-2,2,2-trifluoro-N-[2-(5-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]acetamide?

N-(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-2,2,2-trifluoro-N-[2-(5-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]acetamide has a molecular weight of 636.58 g/mol, XLogP of 6.41, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-2,2,2-trifluoro-N-[2-(5-methoxy-3-pyridinyl)-5-morpholin-4-yl-3-pyridinyl]acetamide is sourced from PubChem (CID 59631542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).