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

C22H22N2O6 — CID 71241898

IUPAC(5R)-5-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one
SMILESCOc1cc(-c2cc(OC[C@H]3CNC(=O)O3)c3cccnc3c2)cc(OC)c1OC
InChIInChI=1S/C22H22N2O6/c1-26-19-9-14(10-20(27-2)21(19)28-3)13-7-17-16(5-4-6-23-17)18(8-13)29-12-15-11-24-22(25)30-15/h4-10,15H,11-12H2,1-3H3,(H,24,25)/t15-/m1/s1
InChIKeyZNGOWSBXVAIQTQ-OAHLLOKOSA-N
MW410.43 g/mol
LogP3.41
Rot. Bonds7

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

(5R)-5-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one (PubChem CID 71241898) has the molecular formula C22H22N2O6 and a molecular weight of 410.43 g/mol. Its IUPAC name is (5R)-5-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one
PubChem CID71241898
Molecular FormulaC22H22N2O6
Molecular Weight410.43 g/mol
Exact Mass410.15
IUPAC Name(5R)-5-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one
SMILESCOc1cc(-c2cc(OC[C@H]3CNC(=O)O3)c3cccnc3c2)cc(OC)c1OC
InChIInChI=1S/C22H22N2O6/c1-26-19-9-14(10-20(27-2)21(19)28-3)13-7-17-16(5-4-6-23-17)18(8-13)29-12-15-11-24-22(25)30-15/h4-10,15H,11-12H2,1-3H3,(H,24,25)/t15-/m1/s1
InChIKeyZNGOWSBXVAIQTQ-OAHLLOKOSA-N
XLogP3.41
TPSA88.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one (CID 71241898) is (5R)-5-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one is COc1cc(-c2cc(OC[C@H]3CNC(=O)O3)c3cccnc3c2)cc(OC)c1OC.
What is the InChIKey of (5R)-5-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one?
The InChIKey is ZNGOWSBXVAIQTQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H22N2O6/c1-26-19-9-14(10-20(27-2)21(19)28-3)13-7-17-16(5-4-6-23-17)18(8-13)29-12-15-11-24-22(25)30-15/h4-10,15H,11-12H2,1-3H3,(H,24,25)/t15-/m1/s1.
What are the key properties of (5R)-5-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one?
(5R)-5-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one has a molecular weight of 410.43 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 71241898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).