2-methyl-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]propanamide

C21H26F3N3O — CID 167099516

IUPAC2-methyl-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]propanamide
SMILESCC(C)C(=O)NC1CCC(N(C)c2cc(C(F)(F)F)nc3ccccc23)CC1
InChIInChI=1S/C21H26F3N3O/c1-13(2)20(28)25-14-8-10-15(11-9-14)27(3)18-12-19(21(22,23)24)26-17-7-5-4-6-16(17)18/h4-7,12-15H,8-11H2,1-3H3,(H,25,28)
InChIKeyMLKRBJCTEFFDGD-UHFFFAOYSA-N
MW393.45 g/mol
LogP4.77
Rot. Bonds4

About 2-methyl-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]propanamide

2-methyl-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]propanamide (PubChem CID 167099516) has the molecular formula C21H26F3N3O and a molecular weight of 393.45 g/mol. Its IUPAC name is 2-methyl-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]propanamide
PubChem CID167099516
Molecular FormulaC21H26F3N3O
Molecular Weight393.45 g/mol
Exact Mass393.20
IUPAC Name2-methyl-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]propanamide
SMILESCC(C)C(=O)NC1CCC(N(C)c2cc(C(F)(F)F)nc3ccccc23)CC1
InChIInChI=1S/C21H26F3N3O/c1-13(2)20(28)25-14-8-10-15(11-9-14)27(3)18-12-19(21(22,23)24)26-17-7-5-4-6-16(17)18/h4-7,12-15H,8-11H2,1-3H3,(H,25,28)
InChIKeyMLKRBJCTEFFDGD-UHFFFAOYSA-N
XLogP4.77
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 167099137
N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]quinoline-4-carboxamide
CID 167099267
2-methyl-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]pyridine-4-carboxamide
CID 167099514
3,5-dimethyl-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1,2-oxazole-4-carboxamide
CID 167099511
N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-methylamino]cyclohexyl]-5-(difluoromethyl)pyrazine-2-carboxamide
CID 167099460
2-(4-chloro-1H-indol-3-yl)-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-methylamino]cyclohexyl]acetamide
CID 167099232
N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-methylamino]cyclohexyl]-1H-indazole-7-carboxamide
CID 167099423
benzyl N-[4-[[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-methylamino]cyclohexyl]amino]-4-oxobutyl]carbamate
CID 167099287
N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-methylamino]cyclohexyl]-5-fluoro-1-benzofuran-2-carboxamide
CID 167099450
2-phenyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]butanamide
CID 163266929
2-ethyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 163267188
(E)-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-methylamino]cyclohexyl]-3-(1H-imidazol-5-yl)prop-2-enamide
CID 167099445

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]propanamide (CID 167099516) is 2-methyl-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]propanamide is CC(C)C(=O)NC1CCC(N(C)c2cc(C(F)(F)F)nc3ccccc23)CC1.
What is the InChIKey of 2-methyl-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]propanamide?
The InChIKey is MLKRBJCTEFFDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3N3O/c1-13(2)20(28)25-14-8-10-15(11-9-14)27(3)18-12-19(21(22,23)24)26-17-7-5-4-6-16(17)18/h4-7,12-15H,8-11H2,1-3H3,(H,25,28).
What are the key properties of 2-methyl-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]propanamide?
2-methyl-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]propanamide has a molecular weight of 393.45 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]propanamide is sourced from PubChem (CID 167099516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).