2-methoxy-N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]benzamide

C25H20F3N3O2 — CID 46276156

IUPAC2-methoxy-N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc2nc(Nc3cccc(C(F)(F)F)c3)cc(C)c2c1
InChIInChI=1S/C25H20F3N3O2/c1-15-12-23(29-17-7-5-6-16(13-17)25(26,27)28)31-21-11-10-18(14-20(15)21)30-24(32)19-8-3-4-9-22(19)33-2/h3-14H,1-2H3,(H,29,31)(H,30,32)
InChIKeyAIIIVVZNYBBGSC-UHFFFAOYSA-N
MW451.45 g/mol
LogP6.57
Rot. Bonds5

About 2-methoxy-N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]benzamide

2-methoxy-N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]benzamide (PubChem CID 46276156) has the molecular formula C25H20F3N3O2 and a molecular weight of 451.45 g/mol. Its IUPAC name is 2-methoxy-N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]benzamide
PubChem CID46276156
Molecular FormulaC25H20F3N3O2
Molecular Weight451.45 g/mol
Exact Mass451.15
IUPAC Name2-methoxy-N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc2nc(Nc3cccc(C(F)(F)F)c3)cc(C)c2c1
InChIInChI=1S/C25H20F3N3O2/c1-15-12-23(29-17-7-5-6-16(13-17)25(26,27)28)31-21-11-10-18(14-20(15)21)30-24(32)19-8-3-4-9-22(19)33-2/h3-14H,1-2H3,(H,29,31)(H,30,32)
InChIKeyAIIIVVZNYBBGSC-UHFFFAOYSA-N
XLogP6.57
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.45
LogP ≤ 56.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(diethylamino)-N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]benzamide
CID 46276168
3-methyl-N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]-4-nitrobenzamide
CID 46276166
N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 20910556
[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] hypobromite
CID 150746432
2-[[(2-methoxybenzoyl)amino]methyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 90012211
5-fluoro-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 34754187
2-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 56593348
N-[6-(3-acetylanilino)-3-pyridinyl]-2-methoxybenzamide
CID 113020316
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 31301441
2-methoxy-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]benzamide
CID 15987836
5-(ethylamino)-2-methoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 146622236
2-methoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
CID 108933228

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]benzamide?
The IUPAC name of 2-methoxy-N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]benzamide (CID 46276156) is 2-methoxy-N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]benzamide is COc1ccccc1C(=O)Nc1ccc2nc(Nc3cccc(C(F)(F)F)c3)cc(C)c2c1.
What is the InChIKey of 2-methoxy-N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]benzamide?
The InChIKey is AIIIVVZNYBBGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N3O2/c1-15-12-23(29-17-7-5-6-16(13-17)25(26,27)28)31-21-11-10-18(14-20(15)21)30-24(32)19-8-3-4-9-22(19)33-2/h3-14H,1-2H3,(H,29,31)(H,30,32).
What are the key properties of 2-methoxy-N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]benzamide?
2-methoxy-N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]benzamide has a molecular weight of 451.45 g/mol, XLogP of 6.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]benzamide is sourced from PubChem (CID 46276156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).