N-(2-morpholin-4-ylsulfonylethyl)-7-(trifluoromethyl)quinolin-4-amine

C16H18F3N3O3S — CID 133405255

IUPACN-(2-morpholin-4-ylsulfonylethyl)-7-(trifluoromethyl)quinolin-4-amine
SMILESO=S(=O)(CCNc1ccnc2cc(C(F)(F)F)ccc12)N1CCOCC1
InChIInChI=1S/C16H18F3N3O3S/c17-16(18,19)12-1-2-13-14(3-4-20-15(13)11-12)21-5-10-26(23,24)22-6-8-25-9-7-22/h1-4,11H,5-10H2,(H,20,21)
InChIKeyNHVFWNNTEARTRB-UHFFFAOYSA-N
MW389.40 g/mol
LogP2.33
Rot. Bonds5

About N-(2-morpholin-4-ylsulfonylethyl)-7-(trifluoromethyl)quinolin-4-amine

N-(2-morpholin-4-ylsulfonylethyl)-7-(trifluoromethyl)quinolin-4-amine (PubChem CID 133405255) has the molecular formula C16H18F3N3O3S and a molecular weight of 389.40 g/mol. Its IUPAC name is N-(2-morpholin-4-ylsulfonylethyl)-7-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound NameN-(2-morpholin-4-ylsulfonylethyl)-7-(trifluoromethyl)quinolin-4-amine
PubChem CID133405255
Molecular FormulaC16H18F3N3O3S
Molecular Weight389.40 g/mol
Exact Mass389.10
IUPAC NameN-(2-morpholin-4-ylsulfonylethyl)-7-(trifluoromethyl)quinolin-4-amine
SMILESO=S(=O)(CCNc1ccnc2cc(C(F)(F)F)ccc12)N1CCOCC1
InChIInChI=1S/C16H18F3N3O3S/c17-16(18,19)12-1-2-13-14(3-4-20-15(13)11-12)21-5-10-26(23,24)22-6-8-25-9-7-22/h1-4,11H,5-10H2,(H,20,21)
InChIKeyNHVFWNNTEARTRB-UHFFFAOYSA-N
XLogP2.33
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethyl-2-methylsulfonylbutyl)-7-(trifluoromethyl)quinolin-4-amine
CID 133402646
N-[3-(oxan-4-yloxy)propyl]-7-(trifluoromethyl)quinolin-4-amine
CID 133402360
morpholin-4-yl-[4-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]methanone
CID 164580422
2,2-dimethyl-N-[2-[[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]propanamide
CID 133402575
N-(2-morpholin-4-ylsulfonylethyl)-2-propylquinolin-4-amine
CID 133405257
7-chloro-N-(2-morpholin-4-ylsulfonylethyl)quinazolin-4-amine
CID 133278645
N-[2-(cyclohexen-1-yl)ethyl]-7-(trifluoromethyl)quinolin-4-amine
CID 70113412
[7-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 15585954
N-[4-[4-(3-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]sulfonylphenyl]-7-(trifluoromethyl)quinolin-4-amine
CID 21314901
N-ethyl-2-[[7-(trifluoromethyl)quinolin-4-yl]amino]acetamide
CID 86802912
N-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylphenyl]-7-(trifluoromethyl)quinolin-4-amine
CID 21314810
[1-[4-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]phenyl]piperidin-4-yl]methanol
CID 133400585

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylsulfonylethyl)-7-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of N-(2-morpholin-4-ylsulfonylethyl)-7-(trifluoromethyl)quinolin-4-amine (CID 133405255) is N-(2-morpholin-4-ylsulfonylethyl)-7-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for N-(2-morpholin-4-ylsulfonylethyl)-7-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for N-(2-morpholin-4-ylsulfonylethyl)-7-(trifluoromethyl)quinolin-4-amine is O=S(=O)(CCNc1ccnc2cc(C(F)(F)F)ccc12)N1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylsulfonylethyl)-7-(trifluoromethyl)quinolin-4-amine?
The InChIKey is NHVFWNNTEARTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O3S/c17-16(18,19)12-1-2-13-14(3-4-20-15(13)11-12)21-5-10-26(23,24)22-6-8-25-9-7-22/h1-4,11H,5-10H2,(H,20,21).
What are the key properties of N-(2-morpholin-4-ylsulfonylethyl)-7-(trifluoromethyl)quinolin-4-amine?
N-(2-morpholin-4-ylsulfonylethyl)-7-(trifluoromethyl)quinolin-4-amine has a molecular weight of 389.40 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylsulfonylethyl)-7-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 133405255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).