2-(7-methyl-4-oxo-3-phenylquinolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide

C25H19F3N2O2 — CID 25015951

IUPAC2-(7-methyl-4-oxo-3-phenylquinolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc2c(=O)c(-c3ccccc3)cn(CC(=O)Nc3ccc(C(F)(F)F)cc3)c2c1
InChIInChI=1S/C25H19F3N2O2/c1-16-7-12-20-22(13-16)30(14-21(24(20)32)17-5-3-2-4-6-17)15-23(31)29-19-10-8-18(9-11-19)25(26,27)28/h2-14H,15H2,1H3,(H,29,31)
InChIKeyWMCFYAYGWIJCQP-UHFFFAOYSA-N
MW436.43 g/mol
LogP5.63
Rot. Bonds4

About 2-(7-methyl-4-oxo-3-phenylquinolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide

2-(7-methyl-4-oxo-3-phenylquinolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 25015951) has the molecular formula C25H19F3N2O2 and a molecular weight of 436.43 g/mol. Its IUPAC name is 2-(7-methyl-4-oxo-3-phenylquinolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(7-methyl-4-oxo-3-phenylquinolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID25015951
Molecular FormulaC25H19F3N2O2
Molecular Weight436.43 g/mol
Exact Mass436.14
IUPAC Name2-(7-methyl-4-oxo-3-phenylquinolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc2c(=O)c(-c3ccccc3)cn(CC(=O)Nc3ccc(C(F)(F)F)cc3)c2c1
InChIInChI=1S/C25H19F3N2O2/c1-16-7-12-20-22(13-16)30(14-21(24(20)32)17-5-3-2-4-6-17)15-23(31)29-19-10-8-18(9-11-19)25(26,27)28/h2-14H,15H2,1H3,(H,29,31)
InChIKeyWMCFYAYGWIJCQP-UHFFFAOYSA-N
XLogP5.63
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.43
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-4-oxo-3-phenylquinolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(7-methyl-4-oxo-3-phenylquinolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (CID 25015951) is 2-(7-methyl-4-oxo-3-phenylquinolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(7-methyl-4-oxo-3-phenylquinolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(7-methyl-4-oxo-3-phenylquinolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is Cc1ccc2c(=O)c(-c3ccccc3)cn(CC(=O)Nc3ccc(C(F)(F)F)cc3)c2c1.
What is the InChIKey of 2-(7-methyl-4-oxo-3-phenylquinolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is WMCFYAYGWIJCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N2O2/c1-16-7-12-20-22(13-16)30(14-21(24(20)32)17-5-3-2-4-6-17)15-23(31)29-19-10-8-18(9-11-19)25(26,27)28/h2-14H,15H2,1H3,(H,29,31).
What are the key properties of 2-(7-methyl-4-oxo-3-phenylquinolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
2-(7-methyl-4-oxo-3-phenylquinolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 436.43 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-4-oxo-3-phenylquinolin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 25015951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).