6-methoxy-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide

C21H19F3N2O2 — CID 36917170

IUPAC6-methoxy-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide
SMILESCOc1ccc2nc(C)c(C(=O)N(C)Cc3ccc(C(F)(F)F)cc3)cc2c1
InChIInChI=1S/C21H19F3N2O2/c1-13-18(11-15-10-17(28-3)8-9-19(15)25-13)20(27)26(2)12-14-4-6-16(7-5-14)21(22,23)24/h4-11H,12H2,1-3H3
InChIKeyALGXROILCFENKK-UHFFFAOYSA-N
MW388.39 g/mol
LogP4.84
Rot. Bonds4

About 6-methoxy-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide

6-methoxy-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide (PubChem CID 36917170) has the molecular formula C21H19F3N2O2 and a molecular weight of 388.39 g/mol. Its IUPAC name is 6-methoxy-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide
PubChem CID36917170
Molecular FormulaC21H19F3N2O2
Molecular Weight388.39 g/mol
Exact Mass388.14
IUPAC Name6-methoxy-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide
SMILESCOc1ccc2nc(C)c(C(=O)N(C)Cc3ccc(C(F)(F)F)cc3)cc2c1
InChIInChI=1S/C21H19F3N2O2/c1-13-18(11-15-10-17(28-3)8-9-19(15)25-13)20(27)26(2)12-14-4-6-16(7-5-14)21(22,23)24/h4-11H,12H2,1-3H3
InChIKeyALGXROILCFENKK-UHFFFAOYSA-N
XLogP4.84
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-N,2-dimethyl-N-[(4-methylphenyl)methyl]quinoline-3-carboxamide
CID 18114437
5-(4-methoxyphenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 78834249
2-(4-methoxyphenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 78771326
N-(1-adamantylmethyl)-6-methoxy-N,2-dimethylquinoline-3-carboxamide
CID 37365648
6-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethylquinoline-3-carboxamide
CID 36933832
N-[1-(4-fluorophenyl)ethyl]-6-methoxy-N,2-dimethylquinoline-3-carboxamide
CID 46677441
N-[2-(4-methoxyphenyl)ethyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 110287984
6-chloro-N,2-dimethyl-N-[(4-methylsulfanylphenyl)methyl]quinoline-3-carboxamide
CID 41377691
6-chloro-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,2-dimethylquinoline-3-carboxamide
CID 43036888
2,5-difluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 86978699
[4-(trifluoromethyl)phenyl] N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 177453696
2-[(4-chlorophenoxy)methyl]-N,4-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 155946449

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide?
The IUPAC name of 6-methoxy-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide (CID 36917170) is 6-methoxy-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide.
What is the SMILES notation for 6-methoxy-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide?
The canonical SMILES for 6-methoxy-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide is COc1ccc2nc(C)c(C(=O)N(C)Cc3ccc(C(F)(F)F)cc3)cc2c1.
What is the InChIKey of 6-methoxy-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide?
The InChIKey is ALGXROILCFENKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O2/c1-13-18(11-15-10-17(28-3)8-9-19(15)25-13)20(27)26(2)12-14-4-6-16(7-5-14)21(22,23)24/h4-11H,12H2,1-3H3.
What are the key properties of 6-methoxy-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide?
6-methoxy-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide has a molecular weight of 388.39 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxamide is sourced from PubChem (CID 36917170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).