[1-(4-hydroxyphenyl)-8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-[2-(trifluoromethoxy)phenyl]methanone

C24H20F3NO4 — CID 162550537

IUPAC[1-(4-hydroxyphenyl)-8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-[2-(trifluoromethoxy)phenyl]methanone
SMILESCOc1cccc2c1C(c1ccc(O)cc1)N(C(=O)c1ccccc1OC(F)(F)F)CC2
InChIInChI=1S/C24H20F3NO4/c1-31-20-8-4-5-15-13-14-28(22(21(15)20)16-9-11-17(29)12-10-16)23(30)18-6-2-3-7-19(18)32-24(25,26)27/h2-12,22,29H,13-14H2,1H3
InChIKeyGRUSRYMABYMGGF-UHFFFAOYSA-N
MW443.42 g/mol
LogP5.09
Rot. Bonds4

About [1-(4-hydroxyphenyl)-8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-[2-(trifluoromethoxy)phenyl]methanone

[1-(4-hydroxyphenyl)-8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-[2-(trifluoromethoxy)phenyl]methanone (PubChem CID 162550537) has the molecular formula C24H20F3NO4 and a molecular weight of 443.42 g/mol. Its IUPAC name is [1-(4-hydroxyphenyl)-8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-[2-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name[1-(4-hydroxyphenyl)-8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-[2-(trifluoromethoxy)phenyl]methanone
PubChem CID162550537
Molecular FormulaC24H20F3NO4
Molecular Weight443.42 g/mol
Exact Mass443.13
IUPAC Name[1-(4-hydroxyphenyl)-8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-[2-(trifluoromethoxy)phenyl]methanone
SMILESCOc1cccc2c1C(c1ccc(O)cc1)N(C(=O)c1ccccc1OC(F)(F)F)CC2
InChIInChI=1S/C24H20F3NO4/c1-31-20-8-4-5-15-13-14-28(22(21(15)20)16-9-11-17(29)12-10-16)23(30)18-6-2-3-7-19(18)32-24(25,26)27/h2-12,22,29H,13-14H2,1H3
InChIKeyGRUSRYMABYMGGF-UHFFFAOYSA-N
XLogP5.09
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.42
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(4-hydroxyphenyl)-8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-[2-(trifluoromethoxy)phenyl]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

[1-(3,5-dichlorophenyl)-6,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-[3-(trifluoromethoxy)phenyl]methanone
CID 59995955
[2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidin-3-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 122329915
[1-(4-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-naphthalen-1-ylmethanone
CID 46095261
(2-methoxyphenyl)-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110400522
[4-(4-hydroxyphenyl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 51327321
[2-(difluoromethoxy)-3-methoxyphenyl]-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 55331170
[(1S)-1-(3-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 92773371
1-(4-chlorophenyl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline
CID 21075843
[(3R)-3-(methylamino)pyrrolidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 172646299
1-[(1R)-1-(4-hydroxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 95240393
1-[(1S)-1-(4-hydroxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 95240392
(4-hydroxypiperidin-1-yl)-[2-(trifluoromethoxy)phenyl]methanone
CID 111463148

Frequently Asked Questions

What is the IUPAC name of [1-(4-hydroxyphenyl)-8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-[2-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of [1-(4-hydroxyphenyl)-8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-[2-(trifluoromethoxy)phenyl]methanone (CID 162550537) is [1-(4-hydroxyphenyl)-8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-[2-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for [1-(4-hydroxyphenyl)-8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-[2-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for [1-(4-hydroxyphenyl)-8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-[2-(trifluoromethoxy)phenyl]methanone is COc1cccc2c1C(c1ccc(O)cc1)N(C(=O)c1ccccc1OC(F)(F)F)CC2.
What is the InChIKey of [1-(4-hydroxyphenyl)-8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-[2-(trifluoromethoxy)phenyl]methanone?
The InChIKey is GRUSRYMABYMGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3NO4/c1-31-20-8-4-5-15-13-14-28(22(21(15)20)16-9-11-17(29)12-10-16)23(30)18-6-2-3-7-19(18)32-24(25,26)27/h2-12,22,29H,13-14H2,1H3.
What are the key properties of [1-(4-hydroxyphenyl)-8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-[2-(trifluoromethoxy)phenyl]methanone?
[1-(4-hydroxyphenyl)-8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-[2-(trifluoromethoxy)phenyl]methanone has a molecular weight of 443.42 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-hydroxyphenyl)-8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-[2-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 162550537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).