N-(2-ethyl-2-methylsulfonylbutyl)-7-(trifluoromethyl)quinolin-4-amine

C17H21F3N2O2S — CID 133402646

IUPACN-(2-ethyl-2-methylsulfonylbutyl)-7-(trifluoromethyl)quinolin-4-amine
SMILESCCC(CC)(CNc1ccnc2cc(C(F)(F)F)ccc12)S(C)(=O)=O
InChIInChI=1S/C17H21F3N2O2S/c1-4-16(5-2,25(3,23)24)11-22-14-8-9-21-15-10-12(17(18,19)20)6-7-13(14)15/h6-10H,4-5,11H2,1-3H3,(H,21,22)
InChIKeyFTYBWYKTNKVKMQ-UHFFFAOYSA-N
MW374.43 g/mol
LogP4.27
Rot. Bonds6

About N-(2-ethyl-2-methylsulfonylbutyl)-7-(trifluoromethyl)quinolin-4-amine

N-(2-ethyl-2-methylsulfonylbutyl)-7-(trifluoromethyl)quinolin-4-amine (PubChem CID 133402646) has the molecular formula C17H21F3N2O2S and a molecular weight of 374.43 g/mol. Its IUPAC name is N-(2-ethyl-2-methylsulfonylbutyl)-7-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound NameN-(2-ethyl-2-methylsulfonylbutyl)-7-(trifluoromethyl)quinolin-4-amine
PubChem CID133402646
Molecular FormulaC17H21F3N2O2S
Molecular Weight374.43 g/mol
Exact Mass374.13
IUPAC NameN-(2-ethyl-2-methylsulfonylbutyl)-7-(trifluoromethyl)quinolin-4-amine
SMILESCCC(CC)(CNc1ccnc2cc(C(F)(F)F)ccc12)S(C)(=O)=O
InChIInChI=1S/C17H21F3N2O2S/c1-4-16(5-2,25(3,23)24)11-22-14-8-9-21-15-10-12(17(18,19)20)6-7-13(14)15/h6-10H,4-5,11H2,1-3H3,(H,21,22)
InChIKeyFTYBWYKTNKVKMQ-UHFFFAOYSA-N
XLogP4.27
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[[7-(trifluoromethyl)quinolin-4-yl]amino]acetamide
CID 86802912
N-(2-morpholin-4-ylsulfonylethyl)-7-(trifluoromethyl)quinolin-4-amine
CID 133405255
2,2-dimethyl-N-[2-[[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]propanamide
CID 133402575
[7-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 15585954
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)quinolin-4-amine
CID 133444826
N-[1-[(7-chloroquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 63859181
2-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,2-diamine
CID 10825833
3-[[(7-chloroquinolin-4-yl)amino]methyl]pentan-3-ol
CID 62060056
4-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexane-1-carboxylic acid
CID 164580415
1-(2-ethylcyclopropyl)-N-[3-[[7-(trifluoromethyl)quinolin-4-yl]amino]propyl]but-1-ene-1-sulfonamide
CID 123144875
trans-(1S,2S)-1-N,2-N-bis[7-(trifluoromethyl)quinolin-4-yl]cyclohexane-1,2-diamine
CID 10625318
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-7-(trifluoromethyl)quinolin-4-amine
CID 133400484

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-methylsulfonylbutyl)-7-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of N-(2-ethyl-2-methylsulfonylbutyl)-7-(trifluoromethyl)quinolin-4-amine (CID 133402646) is N-(2-ethyl-2-methylsulfonylbutyl)-7-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for N-(2-ethyl-2-methylsulfonylbutyl)-7-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for N-(2-ethyl-2-methylsulfonylbutyl)-7-(trifluoromethyl)quinolin-4-amine is CCC(CC)(CNc1ccnc2cc(C(F)(F)F)ccc12)S(C)(=O)=O.
What is the InChIKey of N-(2-ethyl-2-methylsulfonylbutyl)-7-(trifluoromethyl)quinolin-4-amine?
The InChIKey is FTYBWYKTNKVKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O2S/c1-4-16(5-2,25(3,23)24)11-22-14-8-9-21-15-10-12(17(18,19)20)6-7-13(14)15/h6-10H,4-5,11H2,1-3H3,(H,21,22).
What are the key properties of N-(2-ethyl-2-methylsulfonylbutyl)-7-(trifluoromethyl)quinolin-4-amine?
N-(2-ethyl-2-methylsulfonylbutyl)-7-(trifluoromethyl)quinolin-4-amine has a molecular weight of 374.43 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-methylsulfonylbutyl)-7-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 133402646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).