8-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-1H-quinolin-2-one

C17H11Cl2NO3 — CID 82108347

IUPAC8-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-1H-quinolin-2-one
SMILESO=C(COc1cccc2ccc(=O)[nH]c12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H11Cl2NO3/c18-11-5-6-12(13(19)8-11)14(21)9-23-15-3-1-2-10-4-7-16(22)20-17(10)15/h1-8H,9H2,(H,20,22)
InChIKeyNATOCDLATNDKJU-UHFFFAOYSA-N
MW348.19 g/mol
LogP4.10
Rot. Bonds4

About 8-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-1H-quinolin-2-one

8-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-1H-quinolin-2-one (PubChem CID 82108347) has the molecular formula C17H11Cl2NO3 and a molecular weight of 348.19 g/mol. Its IUPAC name is 8-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-1H-quinolin-2-one.

Molecular Properties

Compound Name8-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-1H-quinolin-2-one
PubChem CID82108347
Molecular FormulaC17H11Cl2NO3
Molecular Weight348.19 g/mol
Exact Mass347.01
IUPAC Name8-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-1H-quinolin-2-one
SMILESO=C(COc1cccc2ccc(=O)[nH]c12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H11Cl2NO3/c18-11-5-6-12(13(19)8-11)14(21)9-23-15-3-1-2-10-4-7-16(22)20-17(10)15/h1-8H,9H2,(H,20,22)
InChIKeyNATOCDLATNDKJU-UHFFFAOYSA-N
XLogP4.10
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-2-iodophenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 166094938
2-(4-bromo-2,5-dichlorophenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 107659402
1-(2,4-dichlorophenyl)-2-(2-propan-2-ylphenoxy)ethanone
CID 43413856
3-[[3-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]methyl]-1H-pyridazin-6-one
CID 11728835
1-(2,4-dichlorophenyl)-2-(2,4,6-trichlorophenoxy)ethanone
CID 2302578
2-(2,4-dibromophenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 60625746
1-(2,4-dichlorophenyl)-2-(3-methoxyphenoxy)ethanone
CID 43412670
1-(2,4-dichlorophenyl)-2-(3-ethoxyphenoxy)ethanone
CID 62335593
2-(5-bromo-2,3-difluorophenoxy)-1-(2,4-dichlorophenyl)ethanone
CID 107100385
1-(2,5-dichlorophenyl)-2-(2-fluorophenoxy)ethanone
CID 43412967
[2-(2,4-dichlorophenyl)-2-oxoethyl] acetate
CID 59753951
4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]benzonitrile
CID 7818712

Frequently Asked Questions

What is the IUPAC name of 8-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-1H-quinolin-2-one?
The IUPAC name of 8-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-1H-quinolin-2-one (CID 82108347) is 8-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-1H-quinolin-2-one.
What is the SMILES notation for 8-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-1H-quinolin-2-one?
The canonical SMILES for 8-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-1H-quinolin-2-one is O=C(COc1cccc2ccc(=O)[nH]c12)c1ccc(Cl)cc1Cl.
What is the InChIKey of 8-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-1H-quinolin-2-one?
The InChIKey is NATOCDLATNDKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2NO3/c18-11-5-6-12(13(19)8-11)14(21)9-23-15-3-1-2-10-4-7-16(22)20-17(10)15/h1-8H,9H2,(H,20,22).
What are the key properties of 8-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-1H-quinolin-2-one?
8-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-1H-quinolin-2-one has a molecular weight of 348.19 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-1H-quinolin-2-one is sourced from PubChem (CID 82108347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).