5-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one

C20H18N2O5 — CID 136612944

IUPAC5-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one
SMILESCOc1cc(-c2cc(OCC3CNC(=O)O3)c3cccnc3c2)ccc1O
InChIInChI=1S/C20H18N2O5/c1-25-19-8-12(4-5-17(19)23)13-7-16-15(3-2-6-21-16)18(9-13)26-11-14-10-22-20(24)27-14/h2-9,14,23H,10-11H2,1H3,(H,22,24)
InChIKeyVFKMFBKLVZCHAM-UHFFFAOYSA-N
MW366.37 g/mol
LogP3.10
Rot. Bonds5

About 5-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one

5-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one (PubChem CID 136612944) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is 5-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one
PubChem CID136612944
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name5-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one
SMILESCOc1cc(-c2cc(OCC3CNC(=O)O3)c3cccnc3c2)ccc1O
InChIInChI=1S/C20H18N2O5/c1-25-19-8-12(4-5-17(19)23)13-7-16-15(3-2-6-21-16)18(9-13)26-11-14-10-22-20(24)27-14/h2-9,14,23H,10-11H2,1H3,(H,22,24)
InChIKeyVFKMFBKLVZCHAM-UHFFFAOYSA-N
XLogP3.10
TPSA89.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one (CID 136612944) is 5-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one is COc1cc(-c2cc(OCC3CNC(=O)O3)c3cccnc3c2)ccc1O.
What is the InChIKey of 5-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one?
The InChIKey is VFKMFBKLVZCHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-25-19-8-12(4-5-17(19)23)13-7-16-15(3-2-6-21-16)18(9-13)26-11-14-10-22-20(24)27-14/h2-9,14,23H,10-11H2,1H3,(H,22,24).
What are the key properties of 5-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one?
5-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one has a molecular weight of 366.37 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[7-(4-hydroxy-3-methoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 136612944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).