[7-(2,5-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinolin-3-yl] acetate

C18H13Cl2NO5 — CID 174779481

IUPAC[7-(2,5-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinolin-3-yl] acetate
SMILESCC(=O)Oc1c(O)c2ccc(Oc3cc(Cl)ccc3Cl)cc2n(C)c1=O
InChIInChI=1S/C18H13Cl2NO5/c1-9(22)25-17-16(23)12-5-4-11(8-14(12)21(2)18(17)24)26-15-7-10(19)3-6-13(15)20/h3-8,23H,1-2H3
InChIKeyMYBRJBWUTXPICE-UHFFFAOYSA-N
MW394.21 g/mol
LogP4.27
Rot. Bonds3

About [7-(2,5-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinolin-3-yl] acetate

[7-(2,5-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinolin-3-yl] acetate (PubChem CID 174779481) has the molecular formula C18H13Cl2NO5 and a molecular weight of 394.21 g/mol. Its IUPAC name is [7-(2,5-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinolin-3-yl] acetate.

Molecular Properties

Compound Name[7-(2,5-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinolin-3-yl] acetate
PubChem CID174779481
Molecular FormulaC18H13Cl2NO5
Molecular Weight394.21 g/mol
Exact Mass393.02
IUPAC Name[7-(2,5-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinolin-3-yl] acetate
SMILESCC(=O)Oc1c(O)c2ccc(Oc3cc(Cl)ccc3Cl)cc2n(C)c1=O
InChIInChI=1S/C18H13Cl2NO5/c1-9(22)25-17-16(23)12-5-4-11(8-14(12)21(2)18(17)24)26-15-7-10(19)3-6-13(15)20/h3-8,23H,1-2H3
InChIKeyMYBRJBWUTXPICE-UHFFFAOYSA-N
XLogP4.27
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.21
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [7-(2,5-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinolin-3-yl] acetate?
The IUPAC name of [7-(2,5-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinolin-3-yl] acetate (CID 174779481) is [7-(2,5-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinolin-3-yl] acetate.
What is the SMILES notation for [7-(2,5-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinolin-3-yl] acetate?
The canonical SMILES for [7-(2,5-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinolin-3-yl] acetate is CC(=O)Oc1c(O)c2ccc(Oc3cc(Cl)ccc3Cl)cc2n(C)c1=O.
What is the InChIKey of [7-(2,5-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinolin-3-yl] acetate?
The InChIKey is MYBRJBWUTXPICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2NO5/c1-9(22)25-17-16(23)12-5-4-11(8-14(12)21(2)18(17)24)26-15-7-10(19)3-6-13(15)20/h3-8,23H,1-2H3.
What are the key properties of [7-(2,5-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinolin-3-yl] acetate?
[7-(2,5-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinolin-3-yl] acetate has a molecular weight of 394.21 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2,5-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinolin-3-yl] acetate is sourced from PubChem (CID 174779481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).