N-[3-methyl-4-(5-methylimidazol-1-yl)quinolin-8-yl]-2-(trifluoromethyl)benzamide

C22H17F3N4O — CID 139782543

IUPACN-[3-methyl-4-(5-methylimidazol-1-yl)quinolin-8-yl]-2-(trifluoromethyl)benzamide
SMILESCc1cnc2c(NC(=O)c3ccccc3C(F)(F)F)cccc2c1-n1cncc1C
InChIInChI=1S/C22H17F3N4O/c1-13-10-27-19-16(20(13)29-12-26-11-14(29)2)7-5-9-18(19)28-21(30)15-6-3-4-8-17(15)22(23,24)25/h3-12H,1-2H3,(H,28,30)
InChIKeyIIYOWZUYRQSYLU-UHFFFAOYSA-N
MW410.40 g/mol
LogP5.31
Rot. Bonds3

About N-[3-methyl-4-(5-methylimidazol-1-yl)quinolin-8-yl]-2-(trifluoromethyl)benzamide

N-[3-methyl-4-(5-methylimidazol-1-yl)quinolin-8-yl]-2-(trifluoromethyl)benzamide (PubChem CID 139782543) has the molecular formula C22H17F3N4O and a molecular weight of 410.40 g/mol. Its IUPAC name is N-[3-methyl-4-(5-methylimidazol-1-yl)quinolin-8-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-methyl-4-(5-methylimidazol-1-yl)quinolin-8-yl]-2-(trifluoromethyl)benzamide
PubChem CID139782543
Molecular FormulaC22H17F3N4O
Molecular Weight410.40 g/mol
Exact Mass410.14
IUPAC NameN-[3-methyl-4-(5-methylimidazol-1-yl)quinolin-8-yl]-2-(trifluoromethyl)benzamide
SMILESCc1cnc2c(NC(=O)c3ccccc3C(F)(F)F)cccc2c1-n1cncc1C
InChIInChI=1S/C22H17F3N4O/c1-13-10-27-19-16(20(13)29-12-26-11-14(29)2)7-5-9-18(19)28-21(30)15-6-3-4-8-17(15)22(23,24)25/h3-12H,1-2H3,(H,28,30)
InChIKeyIIYOWZUYRQSYLU-UHFFFAOYSA-N
XLogP5.31
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.40
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydrazinyl-3-methylquinolin-8-yl)-2-(trifluoromethyl)benzamide
CID 19592320
N-[4-(2-benzoylhydrazinyl)-3-methylquinolin-8-yl]-2-(trifluoromethyl)benzamide
CID 139782331
N-[3-methyl-4-(1-methylimidazol-2-yl)sulfanylquinolin-8-yl]-2-(trifluoromethyl)benzamide
CID 139782614
N-(4-acetamido-3-methylquinolin-8-yl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 139782579
N-[3-methyl-4-(phenylcarbamoylamino)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 67600268
N-[3-methyl-4-[methyl(methylcarbamoyl)amino]quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 67613982
N-[3-bromo-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 139782527
N-[3-chloro-4-(2-oxo-3-phenylimidazolidin-1-yl)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 139782558
N-quinolin-5-yl-2-(trifluoromethyl)benzamide
CID 26242319
N-[4-(3-ethyl-2-oxoimidazolidin-1-yl)-2,3-dimethylquinolin-8-yl]-2-(trifluoromethyl)benzamide
CID 139782488
2,6-dichloro-N-[3-methyl-4-(4-phenylimidazol-1-yl)quinolin-8-yl]benzamide
CID 139782382
N-(5-acetamido-2-methylphenyl)-2-(trifluoromethyl)benzamide
CID 108796783

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(5-methylimidazol-1-yl)quinolin-8-yl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-methyl-4-(5-methylimidazol-1-yl)quinolin-8-yl]-2-(trifluoromethyl)benzamide (CID 139782543) is N-[3-methyl-4-(5-methylimidazol-1-yl)quinolin-8-yl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-methyl-4-(5-methylimidazol-1-yl)quinolin-8-yl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-methyl-4-(5-methylimidazol-1-yl)quinolin-8-yl]-2-(trifluoromethyl)benzamide is Cc1cnc2c(NC(=O)c3ccccc3C(F)(F)F)cccc2c1-n1cncc1C.
What is the InChIKey of N-[3-methyl-4-(5-methylimidazol-1-yl)quinolin-8-yl]-2-(trifluoromethyl)benzamide?
The InChIKey is IIYOWZUYRQSYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O/c1-13-10-27-19-16(20(13)29-12-26-11-14(29)2)7-5-9-18(19)28-21(30)15-6-3-4-8-17(15)22(23,24)25/h3-12H,1-2H3,(H,28,30).
What are the key properties of N-[3-methyl-4-(5-methylimidazol-1-yl)quinolin-8-yl]-2-(trifluoromethyl)benzamide?
N-[3-methyl-4-(5-methylimidazol-1-yl)quinolin-8-yl]-2-(trifluoromethyl)benzamide has a molecular weight of 410.40 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(5-methylimidazol-1-yl)quinolin-8-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 139782543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).