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

C22H17F3N4OS — CID 139782614

IUPACN-[3-methyl-4-(1-methylimidazol-2-yl)sulfanylquinolin-8-yl]-2-(trifluoromethyl)benzamide
SMILESCc1cnc2c(NC(=O)c3ccccc3C(F)(F)F)cccc2c1Sc1nccn1C
InChIInChI=1S/C22H17F3N4OS/c1-13-12-27-18-15(19(13)31-21-26-10-11-29(21)2)7-5-9-17(18)28-20(30)14-6-3-4-8-16(14)22(23,24)25/h3-12H,1-2H3,(H,28,30)
InChIKeyNGNZIAKGXIEOEE-UHFFFAOYSA-N
MW442.47 g/mol
LogP5.70
Rot. Bonds4

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

N-[3-methyl-4-(1-methylimidazol-2-yl)sulfanylquinolin-8-yl]-2-(trifluoromethyl)benzamide (PubChem CID 139782614) has the molecular formula C22H17F3N4OS and a molecular weight of 442.47 g/mol. Its IUPAC name is N-[3-methyl-4-(1-methylimidazol-2-yl)sulfanylquinolin-8-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-methyl-4-(1-methylimidazol-2-yl)sulfanylquinolin-8-yl]-2-(trifluoromethyl)benzamide
PubChem CID139782614
Molecular FormulaC22H17F3N4OS
Molecular Weight442.47 g/mol
Exact Mass442.11
IUPAC NameN-[3-methyl-4-(1-methylimidazol-2-yl)sulfanylquinolin-8-yl]-2-(trifluoromethyl)benzamide
SMILESCc1cnc2c(NC(=O)c3ccccc3C(F)(F)F)cccc2c1Sc1nccn1C
InChIInChI=1S/C22H17F3N4OS/c1-13-12-27-18-15(19(13)31-21-26-10-11-29(21)2)7-5-9-17(18)28-20(30)14-6-3-4-8-16(14)22(23,24)25/h3-12H,1-2H3,(H,28,30)
InChIKeyNGNZIAKGXIEOEE-UHFFFAOYSA-N
XLogP5.70
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.47
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-hydrazinyl-3-methylquinolin-8-yl)-2-(trifluoromethyl)benzamide
CID 19592320
N-[3-methyl-4-(5-methylimidazol-1-yl)quinolin-8-yl]-2-(trifluoromethyl)benzamide
CID 139782543
N-[4-(2-benzoylhydrazinyl)-3-methylquinolin-8-yl]-2-(trifluoromethyl)benzamide
CID 139782331
N-(4-acetamido-3-methylquinolin-8-yl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 139782579
2,6-dichloro-N-(3-methyl-4-pyrimidin-2-ylsulfanylquinolin-8-yl)benzamide
CID 19592443
N-[3-methyl-4-[methyl(methylcarbamoyl)amino]quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 67613982
N-[3-methyl-4-(phenylcarbamoylamino)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 67600268
N-quinolin-5-yl-2-(trifluoromethyl)benzamide
CID 26242319
2,6-dichloro-N-[3-methyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]quinolin-8-yl]benzamide
CID 139782493
2,3-dimethyl-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 110860798
N-(5-methyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzamide
CID 4813517
N-[3-bromo-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 139782527

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(1-methylimidazol-2-yl)sulfanylquinolin-8-yl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-methyl-4-(1-methylimidazol-2-yl)sulfanylquinolin-8-yl]-2-(trifluoromethyl)benzamide (CID 139782614) is N-[3-methyl-4-(1-methylimidazol-2-yl)sulfanylquinolin-8-yl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-methyl-4-(1-methylimidazol-2-yl)sulfanylquinolin-8-yl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-methyl-4-(1-methylimidazol-2-yl)sulfanylquinolin-8-yl]-2-(trifluoromethyl)benzamide is Cc1cnc2c(NC(=O)c3ccccc3C(F)(F)F)cccc2c1Sc1nccn1C.
What is the InChIKey of N-[3-methyl-4-(1-methylimidazol-2-yl)sulfanylquinolin-8-yl]-2-(trifluoromethyl)benzamide?
The InChIKey is NGNZIAKGXIEOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4OS/c1-13-12-27-18-15(19(13)31-21-26-10-11-29(21)2)7-5-9-17(18)28-20(30)14-6-3-4-8-16(14)22(23,24)25/h3-12H,1-2H3,(H,28,30).
What are the key properties of N-[3-methyl-4-(1-methylimidazol-2-yl)sulfanylquinolin-8-yl]-2-(trifluoromethyl)benzamide?
N-[3-methyl-4-(1-methylimidazol-2-yl)sulfanylquinolin-8-yl]-2-(trifluoromethyl)benzamide has a molecular weight of 442.47 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(1-methylimidazol-2-yl)sulfanylquinolin-8-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 139782614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).