morpholin-4-yl-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydroisoquinolin-1-yl]methanone

C21H19F3N2O2 — CID 70983578

IUPACmorpholin-4-yl-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydroisoquinolin-1-yl]methanone
SMILESO=C(C1=NCCc2ccc(-c3ccc(C(F)(F)F)cc3)cc21)N1CCOCC1
InChIInChI=1S/C21H19F3N2O2/c22-21(23,24)17-5-3-14(4-6-17)16-2-1-15-7-8-25-19(18(15)13-16)20(27)26-9-11-28-12-10-26/h1-6,13H,7-12H2
InChIKeyADLMCASOCIDFTO-UHFFFAOYSA-N
MW388.39 g/mol
LogP3.58
Rot. Bonds2

About morpholin-4-yl-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydroisoquinolin-1-yl]methanone

morpholin-4-yl-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydroisoquinolin-1-yl]methanone (PubChem CID 70983578) has the molecular formula C21H19F3N2O2 and a molecular weight of 388.39 g/mol. Its IUPAC name is morpholin-4-yl-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydroisoquinolin-1-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydroisoquinolin-1-yl]methanone
PubChem CID70983578
Molecular FormulaC21H19F3N2O2
Molecular Weight388.39 g/mol
Exact Mass388.14
IUPAC Namemorpholin-4-yl-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydroisoquinolin-1-yl]methanone
SMILESO=C(C1=NCCc2ccc(-c3ccc(C(F)(F)F)cc3)cc21)N1CCOCC1
InChIInChI=1S/C21H19F3N2O2/c22-21(23,24)17-5-3-14(4-6-17)16-2-1-15-7-8-25-19(18(15)13-16)20(27)26-9-11-28-12-10-26/h1-6,13H,7-12H2
InChIKeyADLMCASOCIDFTO-UHFFFAOYSA-N
XLogP3.58
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze morpholin-4-yl-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydroisoquinolin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-morpholin-4-ylsulfonylpiperazin-1-yl)-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
CID 38457840
morpholin-4-yl-[1-[1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonyl]piperidin-4-yl]methanone
CID 32651661
[5-cyclohexyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-morpholin-4-ylmethanone
CID 101152342
[6-(trifluoromethyl)-3,4-dihydroisoquinolin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 46178183
[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 70975010
(3-methylsulfonylazetidin-1-yl)-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 70975028
1H-imidazol-2-yl-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 70974858
tert-butyl-[1-[7-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazepin-5-yl]pyrrolidin-3-yl]carbamic acid
CID 118289762
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 113073703
11-[4-(trifluoromethyl)phenyl]-3,4,6,7-tetrahydro-2H-pyrimido[1,2-d][1,4]benzoxazepine
CID 71150292
(1-methylimidazol-2-yl)-[7-[4-(trifluoromethyl)phenyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone
CID 71183295
(3-hydroxyazetidin-1-yl)-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 70974751

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydroisoquinolin-1-yl]methanone?
The IUPAC name of morpholin-4-yl-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydroisoquinolin-1-yl]methanone (CID 70983578) is morpholin-4-yl-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydroisoquinolin-1-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydroisoquinolin-1-yl]methanone?
The canonical SMILES for morpholin-4-yl-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydroisoquinolin-1-yl]methanone is O=C(C1=NCCc2ccc(-c3ccc(C(F)(F)F)cc3)cc21)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydroisoquinolin-1-yl]methanone?
The InChIKey is ADLMCASOCIDFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O2/c22-21(23,24)17-5-3-14(4-6-17)16-2-1-15-7-8-25-19(18(15)13-16)20(27)26-9-11-28-12-10-26/h1-6,13H,7-12H2.
What are the key properties of morpholin-4-yl-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydroisoquinolin-1-yl]methanone?
morpholin-4-yl-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydroisoquinolin-1-yl]methanone has a molecular weight of 388.39 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[7-[4-(trifluoromethyl)phenyl]-3,4-dihydroisoquinolin-1-yl]methanone is sourced from PubChem (CID 70983578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).