5-(hydroxymethyl)-3-[1-oxo-3-[2-(trifluoromethoxy)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-2-one

C20H15F3N2O5 — CID 68683360

IUPAC5-(hydroxymethyl)-3-[1-oxo-3-[2-(trifluoromethoxy)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-2-one
SMILESO=C1OC(CO)CN1c1ccc2cc(-c3ccccc3OC(F)(F)F)[nH]c(=O)c2c1
InChIInChI=1S/C20H15F3N2O5/c21-20(22,23)30-17-4-2-1-3-14(17)16-7-11-5-6-12(8-15(11)18(27)24-16)25-9-13(10-26)29-19(25)28/h1-8,13,26H,9-10H2,(H,24,27)
InChIKeyXGGGCJFNYXLRQL-UHFFFAOYSA-N
MW420.34 g/mol
LogP3.41
Rot. Bonds4

About 5-(hydroxymethyl)-3-[1-oxo-3-[2-(trifluoromethoxy)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-2-one

5-(hydroxymethyl)-3-[1-oxo-3-[2-(trifluoromethoxy)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-2-one (PubChem CID 68683360) has the molecular formula C20H15F3N2O5 and a molecular weight of 420.34 g/mol. Its IUPAC name is 5-(hydroxymethyl)-3-[1-oxo-3-[2-(trifluoromethoxy)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-3-[1-oxo-3-[2-(trifluoromethoxy)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-2-one
PubChem CID68683360
Molecular FormulaC20H15F3N2O5
Molecular Weight420.34 g/mol
Exact Mass420.09
IUPAC Name5-(hydroxymethyl)-3-[1-oxo-3-[2-(trifluoromethoxy)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-2-one
SMILESO=C1OC(CO)CN1c1ccc2cc(-c3ccccc3OC(F)(F)F)[nH]c(=O)c2c1
InChIInChI=1S/C20H15F3N2O5/c21-20(22,23)30-17-4-2-1-3-14(17)16-7-11-5-6-12(8-15(11)18(27)24-16)25-9-13(10-26)29-19(25)28/h1-8,13,26H,9-10H2,(H,24,27)
InChIKeyXGGGCJFNYXLRQL-UHFFFAOYSA-N
XLogP3.41
TPSA91.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.34
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(hydroxymethyl)-3-[1-oxo-3-[2-(trifluoromethoxy)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-2-one 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

(5R)-3-[3-(2-ethoxyphenyl)-1-oxo-2H-isoquinolin-7-yl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 11856839
5-(hydroxymethyl)-3-[3-[2-(2-methoxyethoxy)phenyl]-1-oxo-2H-isoquinolin-7-yl]-1,3-oxazolidin-2-one
CID 68683176
(5R)-5-(hydroxymethyl)-3-[3-(2-methylsulfanylphenyl)-1-oxo-2H-isoquinolin-7-yl]-1,3-oxazolidin-2-one
CID 11856843
5-(hydroxymethyl)-3-[3-(2-morpholin-4-ylphenyl)-1-oxo-2H-isoquinolin-7-yl]-1,3-oxazolidin-2-one
CID 68684728
(5S)-5-(hydroxymethyl)-3-[3-(2-morpholin-4-ylphenyl)-1-oxo-2H-isoquinolin-7-yl]-1,3-oxazolidin-2-one
CID 11854189
3-[3-[2,6-bis(trifluoromethyl)phenyl]-1-oxo-2H-isoquinolin-7-yl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 87539818
(5S)-5-(2-hydroxyethyl)-3-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-2-one
CID 11854455
5-(aminomethyl)-3-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-2-one
CID 11854192
[2-oxo-3-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-5-yl]methyl formate
CID 87540052
5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-2-one
CID 68682559
[(5R)-2-oxo-3-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-5-yl]methyl 3-aminopropanoate;hydrochloride
CID 68683451
[(5S)-2-oxo-3-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-5-yl]methyl-[(2R,3S)-2,3,4-trihydroxybutyl]carbamic acid
CID 68685944

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-3-[1-oxo-3-[2-(trifluoromethoxy)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(hydroxymethyl)-3-[1-oxo-3-[2-(trifluoromethoxy)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-2-one (CID 68683360) is 5-(hydroxymethyl)-3-[1-oxo-3-[2-(trifluoromethoxy)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(hydroxymethyl)-3-[1-oxo-3-[2-(trifluoromethoxy)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(hydroxymethyl)-3-[1-oxo-3-[2-(trifluoromethoxy)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-2-one is O=C1OC(CO)CN1c1ccc2cc(-c3ccccc3OC(F)(F)F)[nH]c(=O)c2c1.
What is the InChIKey of 5-(hydroxymethyl)-3-[1-oxo-3-[2-(trifluoromethoxy)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-2-one?
The InChIKey is XGGGCJFNYXLRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O5/c21-20(22,23)30-17-4-2-1-3-14(17)16-7-11-5-6-12(8-15(11)18(27)24-16)25-9-13(10-26)29-19(25)28/h1-8,13,26H,9-10H2,(H,24,27).
What are the key properties of 5-(hydroxymethyl)-3-[1-oxo-3-[2-(trifluoromethoxy)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-2-one?
5-(hydroxymethyl)-3-[1-oxo-3-[2-(trifluoromethoxy)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-2-one has a molecular weight of 420.34 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-3-[1-oxo-3-[2-(trifluoromethoxy)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 68683360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).