7-(3-bromo-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one

C12H14BrNO3 — CID 114939907

IUPAC7-(3-bromo-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2ccc(OCC(O)CBr)cc2N1
InChIInChI=1S/C12H14BrNO3/c13-6-9(15)7-17-10-3-1-8-2-4-12(16)14-11(8)5-10/h1,3,5,9,15H,2,4,6-7H2,(H,14,16)
InChIKeyXWFKVINCGBQZEP-UHFFFAOYSA-N
MW300.15 g/mol
LogP1.71
Rot. Bonds4

About 7-(3-bromo-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one

7-(3-bromo-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 114939907) has the molecular formula C12H14BrNO3 and a molecular weight of 300.15 g/mol. Its IUPAC name is 7-(3-bromo-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-(3-bromo-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one
PubChem CID114939907
Molecular FormulaC12H14BrNO3
Molecular Weight300.15 g/mol
Exact Mass299.02
IUPAC Name7-(3-bromo-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2ccc(OCC(O)CBr)cc2N1
InChIInChI=1S/C12H14BrNO3/c13-6-9(15)7-17-10-3-1-8-2-4-12(16)14-11(8)5-10/h1,3,5,9,15H,2,4,6-7H2,(H,14,16)
InChIKeyXWFKVINCGBQZEP-UHFFFAOYSA-N
XLogP1.71
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-(2,2-diethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114939923
7-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 112704281
7-[2-methyl-3-(propan-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 103075234
4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanal
CID 56851120
7-[3-(cyclopropylamino)-2-methylpropoxy]-3,4-dihydro-1H-quinolin-2-one
CID 103075237
7-(4-methoxybutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114940015
7-(2-ethylsulfonylethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114940190
7-(4-chlorobut-2-enoxy)-3,4-dihydro-1H-quinolin-2-one
CID 66885925
7-[(4-ethylphenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114940161
6-[3-(benzenesulfinyl)-2-hydroxypropoxy]-3,4-dihydro-1H-quinolin-2-one
CID 20540129
7-[(4-bromothiophen-2-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114939999
N-(3-methylbutan-2-yl)-2-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]acetamide
CID 114940002

Frequently Asked Questions

What is the IUPAC name of 7-(3-bromo-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-(3-bromo-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one (CID 114939907) is 7-(3-bromo-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-(3-bromo-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-(3-bromo-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2ccc(OCC(O)CBr)cc2N1.
What is the InChIKey of 7-(3-bromo-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is XWFKVINCGBQZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO3/c13-6-9(15)7-17-10-3-1-8-2-4-12(16)14-11(8)5-10/h1,3,5,9,15H,2,4,6-7H2,(H,14,16).
What are the key properties of 7-(3-bromo-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one?
7-(3-bromo-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 300.15 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-bromo-2-hydroxypropoxy)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 114939907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).