N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C24H19F6N5O — CID 20910556

About N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 20910556) has the molecular formula C24H19F6N5O and a molecular weight of 507.44 g/mol. Its IUPAC name is N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
• PubChem CID: 20910556
• Molecular Formula: C24H19F6N5O
• Molecular Weight: 507.44 g/mol
• Exact Mass: 507.15
• IUPAC Name: N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
• SMILES: Cc1cc(Nc2cccc(C(F)(F)F)c2)nc2ccc(NC(=O)Cn3nc(C(F)(F)F)cc3C)cc12
• InChI: InChI=1S/C24H19F6N5O/c1-13-8-21(31-16-5-3-4-15(10-16)23(25,26)27)33-19-7-6-17(11-18(13)19)32-22(36)12-35-14(2)9-20(34-35)24(28,29)30/h3-11H,12H2,1-2H3,(H,31,33)(H,32,36)
• InChIKey: PTEGOTQDZLHBJP-UHFFFAOYSA-N
• XLogP: 6.47
• TPSA: 71.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.44
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?

The IUPAC name of N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 20910556) is N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

What is the SMILES notation for N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?

The canonical SMILES for N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is Cc1cc(Nc2cccc(C(F)(F)F)c2)nc2ccc(NC(=O)Cn3nc(C(F)(F)F)cc3C)cc12.

What is the InChIKey of N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?

The InChIKey is PTEGOTQDZLHBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F6N5O/c1-13-8-21(31-16-5-3-4-15(10-16)23(25,26)27)33-19-7-6-17(11-18(13)19)32-22(36)12-35-14(2)9-20(34-35)24(28,29)30/h3-11H,12H2,1-2H3,(H,31,33)(H,32,36).

What are the key properties of N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?

N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 507.44 g/mol, XLogP of 6.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 20910556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).