4-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]quinoline-3-carbonitrile

C21H16F3N3O — CID 133449937

IUPAC4-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1N1CCOC(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C21H16F3N3O/c22-21(23,24)16-7-5-14(6-8-16)19-13-27(9-10-28-19)20-15(11-25)12-26-18-4-2-1-3-17(18)20/h1-8,12,19H,9-10,13H2
InChIKeyUWMVSLKGSYJUCW-UHFFFAOYSA-N
MW383.37 g/mol
LogP4.70
Rot. Bonds2

About 4-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]quinoline-3-carbonitrile

4-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]quinoline-3-carbonitrile (PubChem CID 133449937) has the molecular formula C21H16F3N3O and a molecular weight of 383.37 g/mol. Its IUPAC name is 4-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]quinoline-3-carbonitrile
PubChem CID133449937
Molecular FormulaC21H16F3N3O
Molecular Weight383.37 g/mol
Exact Mass383.12
IUPAC Name4-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1N1CCOC(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C21H16F3N3O/c22-21(23,24)16-7-5-14(6-8-16)19-13-27(9-10-28-19)20-15(11-25)12-26-18-4-2-1-3-17(18)20/h1-8,12,19H,9-10,13H2
InChIKeyUWMVSLKGSYJUCW-UHFFFAOYSA-N
XLogP4.70
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-cyanoquinolin-4-yl)morpholine-2-carbonitrile
CID 79033910
4-(2-ethylmorpholin-4-yl)quinoline-3-carbonitrile
CID 43669146
5-chloro-6-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyridine-3-carbonitrile
CID 133449777
4-[(3S)-3-hydroxypiperidin-1-yl]quinoline-3-carbonitrile
CID 107225382
4-(5-methylpyrimidin-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449879
4-(3-methylpiperazin-1-yl)quinoline-3-carbonitrile
CID 55076424
4-(1,1-dioxo-1,4-thiazinan-4-yl)quinoline-3-carbonitrile
CID 43669154
4-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)quinoline-3-carbonitrile
CID 133323058
4-(3-propylpyrrolidin-1-yl)quinoline-3-carbonitrile
CID 115667709
4-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 78885767
4-(3-nitro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449807
4-(4-ethenylpiperidin-1-yl)quinoline-3-carbonitrile
CID 133321761

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]quinoline-3-carbonitrile?
The IUPAC name of 4-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]quinoline-3-carbonitrile (CID 133449937) is 4-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]quinoline-3-carbonitrile.
What is the SMILES notation for 4-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]quinoline-3-carbonitrile?
The canonical SMILES for 4-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]quinoline-3-carbonitrile is N#Cc1cnc2ccccc2c1N1CCOC(c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 4-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]quinoline-3-carbonitrile?
The InChIKey is UWMVSLKGSYJUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O/c22-21(23,24)16-7-5-14(6-8-16)19-13-27(9-10-28-19)20-15(11-25)12-26-18-4-2-1-3-17(18)20/h1-8,12,19H,9-10,13H2.
What are the key properties of 4-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]quinoline-3-carbonitrile?
4-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]quinoline-3-carbonitrile has a molecular weight of 383.37 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]quinoline-3-carbonitrile is sourced from PubChem (CID 133449937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).