5-(hydroxymethyl)-3-[3-(2-morpholin-4-ylphenyl)-1-oxo-2H-isoquinolin-7-yl]-1,3-oxazolidin-2-one

C23H23N3O5 — CID 68684728

IUPAC5-(hydroxymethyl)-3-[3-(2-morpholin-4-ylphenyl)-1-oxo-2H-isoquinolin-7-yl]-1,3-oxazolidin-2-one
SMILESO=C1OC(CO)CN1c1ccc2cc(-c3ccccc3N3CCOCC3)[nH]c(=O)c2c1
InChIInChI=1S/C23H23N3O5/c27-14-17-13-26(23(29)31-17)16-6-5-15-11-20(24-22(28)19(15)12-16)18-3-1-2-4-21(18)25-7-9-30-10-8-25/h1-6,11-12,17,27H,7-10,13-14H2,(H,24,28)
InChIKeyWOKOFTGHGRMHAS-UHFFFAOYSA-N
MW421.45 g/mol
LogP2.35
Rot. Bonds4

About 5-(hydroxymethyl)-3-[3-(2-morpholin-4-ylphenyl)-1-oxo-2H-isoquinolin-7-yl]-1,3-oxazolidin-2-one

5-(hydroxymethyl)-3-[3-(2-morpholin-4-ylphenyl)-1-oxo-2H-isoquinolin-7-yl]-1,3-oxazolidin-2-one (PubChem CID 68684728) has the molecular formula C23H23N3O5 and a molecular weight of 421.45 g/mol. Its IUPAC name is 5-(hydroxymethyl)-3-[3-(2-morpholin-4-ylphenyl)-1-oxo-2H-isoquinolin-7-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-3-[3-(2-morpholin-4-ylphenyl)-1-oxo-2H-isoquinolin-7-yl]-1,3-oxazolidin-2-one
PubChem CID68684728
Molecular FormulaC23H23N3O5
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Name5-(hydroxymethyl)-3-[3-(2-morpholin-4-ylphenyl)-1-oxo-2H-isoquinolin-7-yl]-1,3-oxazolidin-2-one
SMILESO=C1OC(CO)CN1c1ccc2cc(-c3ccccc3N3CCOCC3)[nH]c(=O)c2c1
InChIInChI=1S/C23H23N3O5/c27-14-17-13-26(23(29)31-17)16-6-5-15-11-20(24-22(28)19(15)12-16)18-3-1-2-4-21(18)25-7-9-30-10-8-25/h1-6,11-12,17,27H,7-10,13-14H2,(H,24,28)
InChIKeyWOKOFTGHGRMHAS-UHFFFAOYSA-N
XLogP2.35
TPSA95.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(hydroxymethyl)-3-[3-(2-morpholin-4-ylphenyl)-1-oxo-2H-isoquinolin-7-yl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(5S)-5-(hydroxymethyl)-3-[3-(2-morpholin-4-ylphenyl)-1-oxo-2H-isoquinolin-7-yl]-1,3-oxazolidin-2-one
CID 11854189
(5R)-5-(hydroxymethyl)-3-[3-(2-methylsulfanylphenyl)-1-oxo-2H-isoquinolin-7-yl]-1,3-oxazolidin-2-one
CID 11856843
(5R)-3-[3-(2-ethoxyphenyl)-1-oxo-2H-isoquinolin-7-yl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 11856839
5-(hydroxymethyl)-3-[1-oxo-3-[2-(trifluoromethoxy)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-2-one
CID 68683360
5-(hydroxymethyl)-3-[3-[2-(2-methoxyethoxy)phenyl]-1-oxo-2H-isoquinolin-7-yl]-1,3-oxazolidin-2-one
CID 68683176
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-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]-1,3-oxazolidin-2-one
CID 68682559
5-(hydroxymethyl)-3-(4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one
CID 22014481
(5R)-5-(hydroxymethyl)-3-(3-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one
CID 69127864
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

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-3-[3-(2-morpholin-4-ylphenyl)-1-oxo-2H-isoquinolin-7-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(hydroxymethyl)-3-[3-(2-morpholin-4-ylphenyl)-1-oxo-2H-isoquinolin-7-yl]-1,3-oxazolidin-2-one (CID 68684728) is 5-(hydroxymethyl)-3-[3-(2-morpholin-4-ylphenyl)-1-oxo-2H-isoquinolin-7-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(hydroxymethyl)-3-[3-(2-morpholin-4-ylphenyl)-1-oxo-2H-isoquinolin-7-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(hydroxymethyl)-3-[3-(2-morpholin-4-ylphenyl)-1-oxo-2H-isoquinolin-7-yl]-1,3-oxazolidin-2-one is O=C1OC(CO)CN1c1ccc2cc(-c3ccccc3N3CCOCC3)[nH]c(=O)c2c1.
What is the InChIKey of 5-(hydroxymethyl)-3-[3-(2-morpholin-4-ylphenyl)-1-oxo-2H-isoquinolin-7-yl]-1,3-oxazolidin-2-one?
The InChIKey is WOKOFTGHGRMHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5/c27-14-17-13-26(23(29)31-17)16-6-5-15-11-20(24-22(28)19(15)12-16)18-3-1-2-4-21(18)25-7-9-30-10-8-25/h1-6,11-12,17,27H,7-10,13-14H2,(H,24,28).
What are the key properties of 5-(hydroxymethyl)-3-[3-(2-morpholin-4-ylphenyl)-1-oxo-2H-isoquinolin-7-yl]-1,3-oxazolidin-2-one?
5-(hydroxymethyl)-3-[3-(2-morpholin-4-ylphenyl)-1-oxo-2H-isoquinolin-7-yl]-1,3-oxazolidin-2-one has a molecular weight of 421.45 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-3-[3-(2-morpholin-4-ylphenyl)-1-oxo-2H-isoquinolin-7-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 68684728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).