6-(2-bromoethoxy)-1-(2-hydroxyethyl)-3,4-dihydroquinolin-2-one

C13H16BrNO3 — CID 169030898

IUPAC6-(2-bromoethoxy)-1-(2-hydroxyethyl)-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2cc(OCCBr)ccc2N1CCO
InChIInChI=1S/C13H16BrNO3/c14-5-8-18-11-2-3-12-10(9-11)1-4-13(17)15(12)6-7-16/h2-3,9,16H,1,4-8H2
InChIKeyWLALKOWRMFIGNG-UHFFFAOYSA-N
MW314.18 g/mol
LogP1.73
Rot. Bonds5

About 6-(2-bromoethoxy)-1-(2-hydroxyethyl)-3,4-dihydroquinolin-2-one

6-(2-bromoethoxy)-1-(2-hydroxyethyl)-3,4-dihydroquinolin-2-one (PubChem CID 169030898) has the molecular formula C13H16BrNO3 and a molecular weight of 314.18 g/mol. Its IUPAC name is 6-(2-bromoethoxy)-1-(2-hydroxyethyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-(2-bromoethoxy)-1-(2-hydroxyethyl)-3,4-dihydroquinolin-2-one
PubChem CID169030898
Molecular FormulaC13H16BrNO3
Molecular Weight314.18 g/mol
Exact Mass313.03
IUPAC Name6-(2-bromoethoxy)-1-(2-hydroxyethyl)-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2cc(OCCBr)ccc2N1CCO
InChIInChI=1S/C13H16BrNO3/c14-5-8-18-11-2-3-12-10(9-11)1-4-13(17)15(12)6-7-16/h2-3,9,16H,1,4-8H2
InChIKeyWLALKOWRMFIGNG-UHFFFAOYSA-N
XLogP1.73
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-(2-bromoethoxy)-1-(2-hydroxyethyl)-3,4-dihydro-1,8-naphthyridin-2-one
CID 168996693
1-(4-bromobutyl)-6-methoxy-3,4-dihydroquinolin-2-one
CID 67152877
5-(2-bromoethoxy)-1-methyl-3H-indol-2-one
CID 168997638
ethane;3-(6-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid
CID 143541163
ethane;3-(6-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propanoic acid;propane
CID 143541157
7-amino-1-(2-hydroxyethyl)-6-methyl-3,4-dihydroquinolin-2-one
CID 68605458
N-(2-oxo-1-propyl-3,4-dihydroquinolin-6-yl)-4-propoxybenzenesulfonamide
CID 16927341
(2R)-2-[2-[[1-(3-methoxypropyl)-2-oxo-3,4-dihydroquinolin-6-yl]oxy]ethyl]piperazine-1,4-dicarboxylic acid
CID 68990131
1-benzyl-6-(4-morpholin-4-ylbutoxy)-3,4-dihydroquinolin-2-one
CID 86301465
5-(2-bromoethoxy)-2-methyl-3H-isoindol-1-one
CID 168996417
1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
CID 102711328
1-(2-hydroxyethyl)-7-nitro-4,5-dihydro-3H-1-benzazepin-2-one
CID 43509796

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromoethoxy)-1-(2-hydroxyethyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-(2-bromoethoxy)-1-(2-hydroxyethyl)-3,4-dihydroquinolin-2-one (CID 169030898) is 6-(2-bromoethoxy)-1-(2-hydroxyethyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-(2-bromoethoxy)-1-(2-hydroxyethyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-(2-bromoethoxy)-1-(2-hydroxyethyl)-3,4-dihydroquinolin-2-one is O=C1CCc2cc(OCCBr)ccc2N1CCO.
What is the InChIKey of 6-(2-bromoethoxy)-1-(2-hydroxyethyl)-3,4-dihydroquinolin-2-one?
The InChIKey is WLALKOWRMFIGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO3/c14-5-8-18-11-2-3-12-10(9-11)1-4-13(17)15(12)6-7-16/h2-3,9,16H,1,4-8H2.
What are the key properties of 6-(2-bromoethoxy)-1-(2-hydroxyethyl)-3,4-dihydroquinolin-2-one?
6-(2-bromoethoxy)-1-(2-hydroxyethyl)-3,4-dihydroquinolin-2-one has a molecular weight of 314.18 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromoethoxy)-1-(2-hydroxyethyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 169030898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).