N,N-dimethyl-2-[4-oxo-7-[2-[4-(trifluoromethyl)phenoxy]phenyl]quinolin-1-yl]acetamide;7-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]-1H-1,6-naphthyridin-4-one

C45H33F6N7O4 — CID 169108122

About N,N-dimethyl-2-[4-oxo-7-[2-[4-(trifluoromethyl)phenoxy]phenyl]quinolin-1-yl]acetamide;7-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]-1H-1,6-naphthyridin-4-one

N,N-dimethyl-2-[4-oxo-7-[2-[4-(trifluoromethyl)phenoxy]phenyl]quinolin-1-yl]acetamide;7-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]-1H-1,6-naphthyridin-4-one (PubChem CID 169108122) has the molecular formula C45H33F6N7O4 and a molecular weight of 849.79 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-oxo-7-[2-[4-(trifluoromethyl)phenoxy]phenyl]quinolin-1-yl]acetamide;7-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]-1H-1,6-naphthyridin-4-one.

Molecular Properties

• Compound Name: N,N-dimethyl-2-[4-oxo-7-[2-[4-(trifluoromethyl)phenoxy]phenyl]quinolin-1-yl]acetamide;7-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]-1H-1,6-naphthyridin-4-one
• PubChem CID: 169108122
• Molecular Formula: C45H33F6N7O4
• Molecular Weight: 849.79 g/mol
• Exact Mass: 849.25
• IUPAC Name: N,N-dimethyl-2-[4-oxo-7-[2-[4-(trifluoromethyl)phenoxy]phenyl]quinolin-1-yl]acetamide;7-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]-1H-1,6-naphthyridin-4-one
• SMILES: CN(C)C(=O)Cn1ccc(=O)c2ccc(-c3ccccc3Oc3ccc(C(F)(F)F)cc3)cc21.O=c1cc[nH]c2cc(-c3nccnc3Nc3ccc(C(F)(F)F)cc3)ncc12
• InChI: InChI=1S/C26H21F3N2O3.C19H12F3N5O/c1-30(2)25(33)16-31-14-13-23(32)21-12-7-17(15-22(21)31)20-5-3-4-6-24(20)34-19-10-8-18(9-11-19)26(27,28)29;20-19(21,22)11-1-3-12(4-2-11)27-18-17(24-7-8-25-18)15-9-14-13(10-26-15)16(28)5-6-23-14/h3-15H,16H2,1-2H3;1-10H,(H,23,28)(H,25,27)
• InChIKey: NAQLCXJIYJPEFZ-UHFFFAOYSA-N
• XLogP: 9.71
• TPSA: 135.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	849.79
LogP ≤ 5	9.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-oxo-7-[2-[4-(trifluoromethyl)phenoxy]phenyl]quinolin-1-yl]acetamide;7-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]-1H-1,6-naphthyridin-4-one?

The IUPAC name of N,N-dimethyl-2-[4-oxo-7-[2-[4-(trifluoromethyl)phenoxy]phenyl]quinolin-1-yl]acetamide;7-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]-1H-1,6-naphthyridin-4-one (CID 169108122) is N,N-dimethyl-2-[4-oxo-7-[2-[4-(trifluoromethyl)phenoxy]phenyl]quinolin-1-yl]acetamide;7-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]-1H-1,6-naphthyridin-4-one.

What is the SMILES notation for N,N-dimethyl-2-[4-oxo-7-[2-[4-(trifluoromethyl)phenoxy]phenyl]quinolin-1-yl]acetamide;7-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]-1H-1,6-naphthyridin-4-one?

The canonical SMILES for N,N-dimethyl-2-[4-oxo-7-[2-[4-(trifluoromethyl)phenoxy]phenyl]quinolin-1-yl]acetamide;7-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]-1H-1,6-naphthyridin-4-one is CN(C)C(=O)Cn1ccc(=O)c2ccc(-c3ccccc3Oc3ccc(C(F)(F)F)cc3)cc21.O=c1cc[nH]c2cc(-c3nccnc3Nc3ccc(C(F)(F)F)cc3)ncc12.

What is the InChIKey of N,N-dimethyl-2-[4-oxo-7-[2-[4-(trifluoromethyl)phenoxy]phenyl]quinolin-1-yl]acetamide;7-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]-1H-1,6-naphthyridin-4-one?

The InChIKey is NAQLCXJIYJPEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N2O3.C19H12F3N5O/c1-30(2)25(33)16-31-14-13-23(32)21-12-7-17(15-22(21)31)20-5-3-4-6-24(20)34-19-10-8-18(9-11-19)26(27,28)29;20-19(21,22)11-1-3-12(4-2-11)27-18-17(24-7-8-25-18)15-9-14-13(10-26-15)16(28)5-6-23-14/h3-15H,16H2,1-2H3;1-10H,(H,23,28)(H,25,27).

What are the key properties of N,N-dimethyl-2-[4-oxo-7-[2-[4-(trifluoromethyl)phenoxy]phenyl]quinolin-1-yl]acetamide;7-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]-1H-1,6-naphthyridin-4-one?

N,N-dimethyl-2-[4-oxo-7-[2-[4-(trifluoromethyl)phenoxy]phenyl]quinolin-1-yl]acetamide;7-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]-1H-1,6-naphthyridin-4-one has a molecular weight of 849.79 g/mol, XLogP of 9.71, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-2-[4-oxo-7-[2-[4-(trifluoromethyl)phenoxy]phenyl]quinolin-1-yl]acetamide;7-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]-1H-1,6-naphthyridin-4-one is sourced from PubChem (CID 169108122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).