2-[3-(anilinomethyl)-7-methyl-2-oxoquinolin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

C26H22F3N3O2 — CID 20921998

IUPAC2-[3-(anilinomethyl)-7-methyl-2-oxoquinolin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc2cc(CNc3ccccc3)c(=O)n(CC(=O)Nc3ccccc3C(F)(F)F)c2c1
InChIInChI=1S/C26H22F3N3O2/c1-17-11-12-18-14-19(15-30-20-7-3-2-4-8-20)25(34)32(23(18)13-17)16-24(33)31-22-10-6-5-9-21(22)26(27,28)29/h2-14,30H,15-16H2,1H3,(H,31,33)
InChIKeyZTPPLLANMUGTNN-UHFFFAOYSA-N
MW465.48 g/mol
LogP5.58
Rot. Bonds6

About 2-[3-(anilinomethyl)-7-methyl-2-oxoquinolin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[3-(anilinomethyl)-7-methyl-2-oxoquinolin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 20921998) has the molecular formula C26H22F3N3O2 and a molecular weight of 465.48 g/mol. Its IUPAC name is 2-[3-(anilinomethyl)-7-methyl-2-oxoquinolin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-(anilinomethyl)-7-methyl-2-oxoquinolin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID20921998
Molecular FormulaC26H22F3N3O2
Molecular Weight465.48 g/mol
Exact Mass465.17
IUPAC Name2-[3-(anilinomethyl)-7-methyl-2-oxoquinolin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc2cc(CNc3ccccc3)c(=O)n(CC(=O)Nc3ccccc3C(F)(F)F)c2c1
InChIInChI=1S/C26H22F3N3O2/c1-17-11-12-18-14-19(15-30-20-7-3-2-4-8-20)25(34)32(23(18)13-17)16-24(33)31-22-10-6-5-9-21(22)26(27,28)29/h2-14,30H,15-16H2,1H3,(H,31,33)
InChIKeyZTPPLLANMUGTNN-UHFFFAOYSA-N
XLogP5.58
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.48
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(anilinomethyl)-7-methyl-2-oxoquinolin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[3-(anilinomethyl)-7-methyl-2-oxoquinolin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 20921998) is 2-[3-(anilinomethyl)-7-methyl-2-oxoquinolin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[3-(anilinomethyl)-7-methyl-2-oxoquinolin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[3-(anilinomethyl)-7-methyl-2-oxoquinolin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is Cc1ccc2cc(CNc3ccccc3)c(=O)n(CC(=O)Nc3ccccc3C(F)(F)F)c2c1.
What is the InChIKey of 2-[3-(anilinomethyl)-7-methyl-2-oxoquinolin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ZTPPLLANMUGTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N3O2/c1-17-11-12-18-14-19(15-30-20-7-3-2-4-8-20)25(34)32(23(18)13-17)16-24(33)31-22-10-6-5-9-21(22)26(27,28)29/h2-14,30H,15-16H2,1H3,(H,31,33).
What are the key properties of 2-[3-(anilinomethyl)-7-methyl-2-oxoquinolin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[3-(anilinomethyl)-7-methyl-2-oxoquinolin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 465.48 g/mol, XLogP of 5.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(anilinomethyl)-7-methyl-2-oxoquinolin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 20921998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).