3-[2-(2,4-dichlorophenoxy)ethyl]-3,4-dihydro-1H-quinolin-2-one

C17H15Cl2NO2 — CID 59347425

IUPAC3-[2-(2,4-dichlorophenoxy)ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1Nc2ccccc2CC1CCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15Cl2NO2/c18-13-5-6-16(14(19)10-13)22-8-7-12-9-11-3-1-2-4-15(11)20-17(12)21/h1-6,10,12H,7-9H2,(H,20,21)
InChIKeyRQXNDYPUQITPME-UHFFFAOYSA-N
MW336.22 g/mol
LogP4.57
Rot. Bonds4

About 3-[2-(2,4-dichlorophenoxy)ethyl]-3,4-dihydro-1H-quinolin-2-one

3-[2-(2,4-dichlorophenoxy)ethyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 59347425) has the molecular formula C17H15Cl2NO2 and a molecular weight of 336.22 g/mol. Its IUPAC name is 3-[2-(2,4-dichlorophenoxy)ethyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[2-(2,4-dichlorophenoxy)ethyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID59347425
Molecular FormulaC17H15Cl2NO2
Molecular Weight336.22 g/mol
Exact Mass335.05
IUPAC Name3-[2-(2,4-dichlorophenoxy)ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1Nc2ccccc2CC1CCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H15Cl2NO2/c18-13-5-6-16(14(19)10-13)22-8-7-12-9-11-3-1-2-4-15(11)20-17(12)21/h1-6,10,12H,7-9H2,(H,20,21)
InChIKeyRQXNDYPUQITPME-UHFFFAOYSA-N
XLogP4.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[2-(2,4-dichlorophenoxy)ethyl]-2-oxo-3,4-dihydro-1H-quinolin-6-yl] thiohypochlorite
CID 143333880
3-[2-(2,4-dichlorophenoxy)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonic acid
CID 87467256
3-[2-(2,4-dichlorophenoxy)ethyl]-2-oxo-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 15951922
3-[2-(2,4-dichlorophenoxy)ethyl]-6-(1,3,4-thiadiazol-2-ylmethylsulfonyl)-3,4-dihydro-1H-quinolin-2-one
CID 147317463
(4-bromo-2-chlorophenyl) 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoate
CID 26262429
3-[2-(2,4-dichlorophenoxy)ethyl]-6-[(5-methoxy-1,2,4-thiadiazol-3-yl)methylsulfonyl]-3,4-dihydro-1H-quinolin-2-one
CID 162171148
(3S)-3-ethyl-3,4-dihydro-1H-quinolin-2-one
CID 70087119
N-(3-chloro-4-fluorophenyl)-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 26062216
3-butyl-3,4-dihydro-1H-quinolin-2-one
CID 12715425
3-[2-(2,4-dichlorophenoxy)ethyl]-4,5-dihydro-3H-1-benzazepine
CID 91015643
5-[2-(2,4-dichlorophenoxy)acetyl]-3-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 20898925
(3S)-3'-[2-(2,4-dichlorophenoxy)ethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 2417216

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dichlorophenoxy)ethyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 3-[2-(2,4-dichlorophenoxy)ethyl]-3,4-dihydro-1H-quinolin-2-one (CID 59347425) is 3-[2-(2,4-dichlorophenoxy)ethyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 3-[2-(2,4-dichlorophenoxy)ethyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 3-[2-(2,4-dichlorophenoxy)ethyl]-3,4-dihydro-1H-quinolin-2-one is O=C1Nc2ccccc2CC1CCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[2-(2,4-dichlorophenoxy)ethyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is RQXNDYPUQITPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO2/c18-13-5-6-16(14(19)10-13)22-8-7-12-9-11-3-1-2-4-15(11)20-17(12)21/h1-6,10,12H,7-9H2,(H,20,21).
What are the key properties of 3-[2-(2,4-dichlorophenoxy)ethyl]-3,4-dihydro-1H-quinolin-2-one?
3-[2-(2,4-dichlorophenoxy)ethyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 336.22 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dichlorophenoxy)ethyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 59347425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).