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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Related Compounds

N-(2-chlorophenyl)-2-[3-[(3,4-dimethoxyanilino)methyl]-7-methyl-2-oxoquinolin-1-yl]acetamide
CID 18592296
2-[8-(anilinomethyl)-7-oxo-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-yl]-N-(2-methylphenyl)acetamide
CID 18591157
2-[3-[(3,4-dimethoxyanilino)methyl]-7-methyl-2-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 18592297
2-[6,7-dimethoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide
CID 20922007
2-[8-(anilinomethyl)-7-oxo-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 18591162
N-(2,6-dimethylphenyl)-2-[8-[(4-methylanilino)methyl]-7-oxo-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-yl]acetamide
CID 16956586
2-[8-(anilinomethyl)-7-oxo-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-yl]-N-(4-methoxyphenyl)acetamide
CID 18591671
2-(6-methyl-4-oxoquinazolin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 55733182
2-[3-[(4-ethylanilino)methyl]-6,7-dimethoxy-2-oxoquinolin-1-yl]-N-phenylacetamide
CID 18591309
3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110423215
2-(6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 28692091
2-[3-[acetyl(ethyl)amino]-2-oxoquinoxalin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 53097799

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).