N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(trifluoromethyl)quinolin-4-amine

C22H21F4N3O — CID 97083925

IUPACN-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(trifluoromethyl)quinolin-4-amine
SMILESFc1ccc([C@H](CNc2cc(C(F)(F)F)nc3ccccc23)N2CCOCC2)cc1
InChIInChI=1S/C22H21F4N3O/c23-16-7-5-15(6-8-16)20(29-9-11-30-12-10-29)14-27-19-13-21(22(24,25)26)28-18-4-2-1-3-17(18)19/h1-8,13,20H,9-12,14H2,(H,27,28)/t20-/m0/s1
InChIKeyJXKAXIYAJQERSL-FQEVSTJZSA-N
MW419.42 g/mol
LogP4.88
Rot. Bonds5

About N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(trifluoromethyl)quinolin-4-amine

N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(trifluoromethyl)quinolin-4-amine (PubChem CID 97083925) has the molecular formula C22H21F4N3O and a molecular weight of 419.42 g/mol. Its IUPAC name is N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound NameN-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(trifluoromethyl)quinolin-4-amine
PubChem CID97083925
Molecular FormulaC22H21F4N3O
Molecular Weight419.42 g/mol
Exact Mass419.16
IUPAC NameN-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(trifluoromethyl)quinolin-4-amine
SMILESFc1ccc([C@H](CNc2cc(C(F)(F)F)nc3ccccc23)N2CCOCC2)cc1
InChIInChI=1S/C22H21F4N3O/c23-16-7-5-15(6-8-16)20(29-9-11-30-12-10-29)14-27-19-13-21(22(24,25)26)28-18-4-2-1-3-17(18)19/h1-8,13,20H,9-12,14H2,(H,27,28)/t20-/m0/s1
InChIKeyJXKAXIYAJQERSL-FQEVSTJZSA-N
XLogP4.88
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.42
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylquinolin-4-amine
CID 71899447
N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-(trifluoromethyl)quinolin-4-amine
CID 97083929
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(trifluoromethyl)quinolin-4-amine
CID 71899470
2-methyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]quinolin-4-amine
CID 97068034
4-chloro-5-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-2-phenylpyridazin-3-one
CID 18084796
2-[4-(dimethylamino)phenyl]-N-(2-morpholin-4-yl-2-phenylethyl)quinazolin-4-amine
CID 121378075
N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 26012673
3-(1H-benzimidazol-2-yl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 31615402
3-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-4-nitrobenzonitrile
CID 133478177
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 43003526
1-[(4-fluorophenyl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea
CID 42890407
6-tert-butyl-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 55517482

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(trifluoromethyl)quinolin-4-amine (CID 97083925) is N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(trifluoromethyl)quinolin-4-amine is Fc1ccc([C@H](CNc2cc(C(F)(F)F)nc3ccccc23)N2CCOCC2)cc1.
What is the InChIKey of N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(trifluoromethyl)quinolin-4-amine?
The InChIKey is JXKAXIYAJQERSL-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H21F4N3O/c23-16-7-5-15(6-8-16)20(29-9-11-30-12-10-29)14-27-19-13-21(22(24,25)26)28-18-4-2-1-3-17(18)19/h1-8,13,20H,9-12,14H2,(H,27,28)/t20-/m0/s1.
What are the key properties of N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(trifluoromethyl)quinolin-4-amine?
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(trifluoromethyl)quinolin-4-amine has a molecular weight of 419.42 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 97083925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).