2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-N,N-dimethyl-4-phenylmethoxyquinolin-5-amine

C32H26F5N3O2 — CID 169249600

About 2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-N,N-dimethyl-4-phenylmethoxyquinolin-5-amine

2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-N,N-dimethyl-4-phenylmethoxyquinolin-5-amine (PubChem CID 169249600) has the molecular formula C32H26F5N3O2 and a molecular weight of 579.57 g/mol. Its IUPAC name is 2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-N,N-dimethyl-4-phenylmethoxyquinolin-5-amine.

Molecular Properties

• Compound Name: 2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-N,N-dimethyl-4-phenylmethoxyquinolin-5-amine
• PubChem CID: 169249600
• Molecular Formula: C32H26F5N3O2
• Molecular Weight: 579.57 g/mol
• Exact Mass: 579.19
• IUPAC Name: 2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-N,N-dimethyl-4-phenylmethoxyquinolin-5-amine
• SMILES: Cc1c(Oc2ncc(C(F)(F)F)c(C)c2-c2cc(OCc3ccccc3)c3c(N(C)C)cccc3n2)ccc(F)c1F
• InChI: InChI=1S/C32H26F5N3O2/c1-18-21(32(35,36)37)16-38-31(42-26-14-13-22(33)30(34)19(26)2)28(18)24-15-27(41-17-20-9-6-5-7-10-20)29-23(39-24)11-8-12-25(29)40(3)4/h5-16H,17H2,1-4H3
• InChIKey: HQLVFZYEGPZPLT-UHFFFAOYSA-N
• XLogP: 8.65
• TPSA: 47.48 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	579.57
LogP ≤ 5	8.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-N,N-dimethyl-4-phenylmethoxyquinolin-5-amine?

The IUPAC name of 2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-N,N-dimethyl-4-phenylmethoxyquinolin-5-amine (CID 169249600) is 2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-N,N-dimethyl-4-phenylmethoxyquinolin-5-amine.

What is the SMILES notation for 2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-N,N-dimethyl-4-phenylmethoxyquinolin-5-amine?

The canonical SMILES for 2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-N,N-dimethyl-4-phenylmethoxyquinolin-5-amine is Cc1c(Oc2ncc(C(F)(F)F)c(C)c2-c2cc(OCc3ccccc3)c3c(N(C)C)cccc3n2)ccc(F)c1F.

What is the InChIKey of 2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-N,N-dimethyl-4-phenylmethoxyquinolin-5-amine?

The InChIKey is HQLVFZYEGPZPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F5N3O2/c1-18-21(32(35,36)37)16-38-31(42-26-14-13-22(33)30(34)19(26)2)28(18)24-15-27(41-17-20-9-6-5-7-10-20)29-23(39-24)11-8-12-25(29)40(3)4/h5-16H,17H2,1-4H3.

What are the key properties of 2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-N,N-dimethyl-4-phenylmethoxyquinolin-5-amine?

2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-N,N-dimethyl-4-phenylmethoxyquinolin-5-amine has a molecular weight of 579.57 g/mol, XLogP of 8.65, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-N,N-dimethyl-4-phenylmethoxyquinolin-5-amine is sourced from PubChem (CID 169249600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).