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

C21H20N2O5 — CID 11856839

IUPAC(5R)-3-[3-(2-ethoxyphenyl)-1-oxo-2H-isoquinolin-7-yl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESCCOc1ccccc1-c1cc2ccc(N3C[C@H](CO)OC3=O)cc2c(=O)[nH]1
InChIInChI=1S/C21H20N2O5/c1-2-27-19-6-4-3-5-16(19)18-9-13-7-8-14(10-17(13)20(25)22-18)23-11-15(12-24)28-21(23)26/h3-10,15,24H,2,11-12H2,1H3,(H,22,25)/t15-/m1/s1
InChIKeyYGYHCLGWGRWEKW-OAHLLOKOSA-N
MW380.40 g/mol
LogP2.91
Rot. Bonds5

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

(5R)-3-[3-(2-ethoxyphenyl)-1-oxo-2H-isoquinolin-7-yl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 11856839) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is (5R)-3-[3-(2-ethoxyphenyl)-1-oxo-2H-isoquinolin-7-yl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[3-(2-ethoxyphenyl)-1-oxo-2H-isoquinolin-7-yl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID11856839
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Name(5R)-3-[3-(2-ethoxyphenyl)-1-oxo-2H-isoquinolin-7-yl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESCCOc1ccccc1-c1cc2ccc(N3C[C@H](CO)OC3=O)cc2c(=O)[nH]1
InChIInChI=1S/C21H20N2O5/c1-2-27-19-6-4-3-5-16(19)18-9-13-7-8-14(10-17(13)20(25)22-18)23-11-15(12-24)28-21(23)26/h3-10,15,24H,2,11-12H2,1H3,(H,22,25)/t15-/m1/s1
InChIKeyYGYHCLGWGRWEKW-OAHLLOKOSA-N
XLogP2.91
TPSA91.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (5R)-3-[3-(2-ethoxyphenyl)-1-oxo-2H-isoquinolin-7-yl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one with MolForge

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Related Compounds

5-(hydroxymethyl)-3-[3-[2-(2-methoxyethoxy)phenyl]-1-oxo-2H-isoquinolin-7-yl]-1,3-oxazolidin-2-one
CID 68683176
5-(hydroxymethyl)-3-[1-oxo-3-[2-(trifluoromethoxy)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-2-one
CID 68683360
(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
[2-oxo-3-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-5-yl]methyl formate
CID 87540052
5-(hydroxymethyl)-3-naphthalen-2-yl-1,3-oxazolidin-2-one
CID 19012505
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)-5-[2-(2-methoxyethoxy)ethoxymethyl]-3-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-2-one
CID 11855766
[(5S)-2-oxo-3-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-5-yl]methyl 2-(dimethylamino)acetate;hydrochloride
CID 68682682

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3-(2-ethoxyphenyl)-1-oxo-2H-isoquinolin-7-yl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[3-(2-ethoxyphenyl)-1-oxo-2H-isoquinolin-7-yl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 11856839) is (5R)-3-[3-(2-ethoxyphenyl)-1-oxo-2H-isoquinolin-7-yl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[3-(2-ethoxyphenyl)-1-oxo-2H-isoquinolin-7-yl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[3-(2-ethoxyphenyl)-1-oxo-2H-isoquinolin-7-yl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is CCOc1ccccc1-c1cc2ccc(N3C[C@H](CO)OC3=O)cc2c(=O)[nH]1.
What is the InChIKey of (5R)-3-[3-(2-ethoxyphenyl)-1-oxo-2H-isoquinolin-7-yl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is YGYHCLGWGRWEKW-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H20N2O5/c1-2-27-19-6-4-3-5-16(19)18-9-13-7-8-14(10-17(13)20(25)22-18)23-11-15(12-24)28-21(23)26/h3-10,15,24H,2,11-12H2,1H3,(H,22,25)/t15-/m1/s1.
What are the key properties of (5R)-3-[3-(2-ethoxyphenyl)-1-oxo-2H-isoquinolin-7-yl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
(5R)-3-[3-(2-ethoxyphenyl)-1-oxo-2H-isoquinolin-7-yl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 380.40 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[3-(2-ethoxyphenyl)-1-oxo-2H-isoquinolin-7-yl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 11856839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).