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

C21H20N2O5 — CID 71241895

IUPAC(5R)-5-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(-c2cc(OC[C@H]3CNC(=O)O3)c3cccnc3c2)cc1OC
InChIInChI=1S/C21H20N2O5/c1-25-18-6-5-13(9-20(18)26-2)14-8-17-16(4-3-7-22-17)19(10-14)27-12-15-11-23-21(24)28-15/h3-10,15H,11-12H2,1-2H3,(H,23,24)/t15-/m1/s1
InChIKeyZMDIGBNFHYITEJ-OAHLLOKOSA-N
MW380.40 g/mol
LogP3.41
Rot. Bonds6

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

(5R)-5-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one (PubChem CID 71241895) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is (5R)-5-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one
PubChem CID71241895
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Name(5R)-5-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(-c2cc(OC[C@H]3CNC(=O)O3)c3cccnc3c2)cc1OC
InChIInChI=1S/C21H20N2O5/c1-25-18-6-5-13(9-20(18)26-2)14-8-17-16(4-3-7-22-17)19(10-14)27-12-15-11-23-21(24)28-15/h3-10,15H,11-12H2,1-2H3,(H,23,24)/t15-/m1/s1
InChIKeyZMDIGBNFHYITEJ-OAHLLOKOSA-N
XLogP3.41
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one (CID 71241895) is (5R)-5-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one is COc1ccc(-c2cc(OC[C@H]3CNC(=O)O3)c3cccnc3c2)cc1OC.
What is the InChIKey of (5R)-5-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one?
The InChIKey is ZMDIGBNFHYITEJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H20N2O5/c1-25-18-6-5-13(9-20(18)26-2)14-8-17-16(4-3-7-22-17)19(10-14)27-12-15-11-23-21(24)28-15/h3-10,15H,11-12H2,1-2H3,(H,23,24)/t15-/m1/s1.
What are the key properties of (5R)-5-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one?
(5R)-5-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one has a molecular weight of 380.40 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 71241895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).