N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-(trifluoromethyl)quinolin-4-amine

C20H20F3N3OS — CID 97083929

IUPACN-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-(trifluoromethyl)quinolin-4-amine
SMILESFC(F)(F)c1cc(NC[C@@H](c2cccs2)N2CCOCC2)c2ccccc2n1
InChIInChI=1S/C20H20F3N3OS/c21-20(22,23)19-12-16(14-4-1-2-5-15(14)25-19)24-13-17(18-6-3-11-28-18)26-7-9-27-10-8-26/h1-6,11-12,17H,7-10,13H2,(H,24,25)/t17-/m0/s1
InChIKeyQFSKODCWAFORPE-KRWDZBQOSA-N
MW407.46 g/mol
LogP4.80
Rot. Bonds5

About N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-(trifluoromethyl)quinolin-4-amine

N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-(trifluoromethyl)quinolin-4-amine (PubChem CID 97083929) has the molecular formula C20H20F3N3OS and a molecular weight of 407.46 g/mol. Its IUPAC name is N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound NameN-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-(trifluoromethyl)quinolin-4-amine
PubChem CID97083929
Molecular FormulaC20H20F3N3OS
Molecular Weight407.46 g/mol
Exact Mass407.13
IUPAC NameN-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-(trifluoromethyl)quinolin-4-amine
SMILESFC(F)(F)c1cc(NC[C@@H](c2cccs2)N2CCOCC2)c2ccccc2n1
InChIInChI=1S/C20H20F3N3OS/c21-20(22,23)19-12-16(14-4-1-2-5-15(14)25-19)24-13-17(18-6-3-11-28-18)26-7-9-27-10-8-26/h1-6,11-12,17H,7-10,13H2,(H,24,25)/t17-/m0/s1
InChIKeyQFSKODCWAFORPE-KRWDZBQOSA-N
XLogP4.80
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.46
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(trifluoromethyl)quinolin-4-amine
CID 97083925
2-methyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]quinolin-4-amine
CID 97068034
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(trifluoromethyl)quinolin-4-amine
CID 71899470
N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 31489441
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylquinolin-4-amine
CID 71899447
5-tert-butyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 127616527
N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 2395138
3,3-dimethyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butan-1-amine
CID 119160582
N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-(trifluoromethyl)benzamide
CID 39951261
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 5136979
5-chloro-4-[[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-1H-pyridazin-6-one
CID 94818392
N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 25334392

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-(trifluoromethyl)quinolin-4-amine (CID 97083929) is N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-(trifluoromethyl)quinolin-4-amine is FC(F)(F)c1cc(NC[C@@H](c2cccs2)N2CCOCC2)c2ccccc2n1.
What is the InChIKey of N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-(trifluoromethyl)quinolin-4-amine?
The InChIKey is QFSKODCWAFORPE-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H20F3N3OS/c21-20(22,23)19-12-16(14-4-1-2-5-15(14)25-19)24-13-17(18-6-3-11-28-18)26-7-9-27-10-8-26/h1-6,11-12,17H,7-10,13H2,(H,24,25)/t17-/m0/s1.
What are the key properties of N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-(trifluoromethyl)quinolin-4-amine?
N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-(trifluoromethyl)quinolin-4-amine has a molecular weight of 407.46 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 97083929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).