5-[[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one

C23H24N2O5 — CID 71237858

IUPAC5-[[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one
SMILESCOc1cc(-c2cc(OCC3CNC(=O)O3)c3cccnc3c2)ccc1OC(C)C
InChIInChI=1S/C23H24N2O5/c1-14(2)29-20-7-6-15(10-22(20)27-3)16-9-19-18(5-4-8-24-19)21(11-16)28-13-17-12-25-23(26)30-17/h4-11,14,17H,12-13H2,1-3H3,(H,25,26)
InChIKeyKXUHNTYPHZADRX-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.18
Rot. Bonds7

About 5-[[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one

5-[[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one (PubChem CID 71237858) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is 5-[[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one
PubChem CID71237858
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Name5-[[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one
SMILESCOc1cc(-c2cc(OCC3CNC(=O)O3)c3cccnc3c2)ccc1OC(C)C
InChIInChI=1S/C23H24N2O5/c1-14(2)29-20-7-6-15(10-22(20)27-3)16-9-19-18(5-4-8-24-19)21(11-16)28-13-17-12-25-23(26)30-17/h4-11,14,17H,12-13H2,1-3H3,(H,25,26)
InChIKeyKXUHNTYPHZADRX-UHFFFAOYSA-N
XLogP4.18
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one (CID 71237858) is 5-[[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one is COc1cc(-c2cc(OCC3CNC(=O)O3)c3cccnc3c2)ccc1OC(C)C.
What is the InChIKey of 5-[[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one?
The InChIKey is KXUHNTYPHZADRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-14(2)29-20-7-6-15(10-22(20)27-3)16-9-19-18(5-4-8-24-19)21(11-16)28-13-17-12-25-23(26)30-17/h4-11,14,17H,12-13H2,1-3H3,(H,25,26).
What are the key properties of 5-[[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one?
5-[[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one has a molecular weight of 408.45 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[7-(3-methoxy-4-propan-2-yloxyphenyl)quinolin-5-yl]oxymethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 71237858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).