6-bromo-8-(1-hydroxy-2-methoxyethyl)-3,4-dihydro-1H-quinolin-2-one

C12H14BrNO3 — CID 82174297

IUPAC6-bromo-8-(1-hydroxy-2-methoxyethyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCOCC(O)c1cc(Br)cc2c1NC(=O)CC2
InChIInChI=1S/C12H14BrNO3/c1-17-6-10(15)9-5-8(13)4-7-2-3-11(16)14-12(7)9/h4-5,10,15H,2-3,6H2,1H3,(H,14,16)
InChIKeyQGMDQJXKVFOIHC-UHFFFAOYSA-N
MW300.15 g/mol
LogP2.01
Rot. Bonds3

About 6-bromo-8-(1-hydroxy-2-methoxyethyl)-3,4-dihydro-1H-quinolin-2-one

6-bromo-8-(1-hydroxy-2-methoxyethyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 82174297) has the molecular formula C12H14BrNO3 and a molecular weight of 300.15 g/mol. Its IUPAC name is 6-bromo-8-(1-hydroxy-2-methoxyethyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-bromo-8-(1-hydroxy-2-methoxyethyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID82174297
Molecular FormulaC12H14BrNO3
Molecular Weight300.15 g/mol
Exact Mass299.02
IUPAC Name6-bromo-8-(1-hydroxy-2-methoxyethyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCOCC(O)c1cc(Br)cc2c1NC(=O)CC2
InChIInChI=1S/C12H14BrNO3/c1-17-6-10(15)9-5-8(13)4-7-2-3-11(16)14-12(7)9/h4-5,10,15H,2-3,6H2,1H3,(H,14,16)
InChIKeyQGMDQJXKVFOIHC-UHFFFAOYSA-N
XLogP2.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-8-(1-hydroxybutyl)-3,4-dihydro-1H-quinolin-2-one
CID 82174296
6-fluoro-8-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 82174262
8-(2-aminopropyl)-6-bromo-3,4-dihydro-1H-quinolin-2-one
CID 82190811
7-chloro-6-(1-hydroxypropyl)-8-methyl-3,4-dihydro-1H-quinolin-2-one
CID 82174111
8-ethyl-6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 82174002
6-ethyl-8-(1-hydroxy-2-thiophen-2-ylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82174207
1-(3-bromo-5-chlorophenyl)-2-methoxyethanol
CID 107947641
6-bromo-8-(pyridin-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 126587454
8-[furan-2-yl(hydroxy)methyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 82174150
8-[(2-chlorophenyl)-hydroxymethyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 82174159
6-chloro-8-[hydroxy-(2-methylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 82174233
6-(1-hydroxy-2-thiophen-2-ylethyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 82174336

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-(1-hydroxy-2-methoxyethyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-bromo-8-(1-hydroxy-2-methoxyethyl)-3,4-dihydro-1H-quinolin-2-one (CID 82174297) is 6-bromo-8-(1-hydroxy-2-methoxyethyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-bromo-8-(1-hydroxy-2-methoxyethyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-bromo-8-(1-hydroxy-2-methoxyethyl)-3,4-dihydro-1H-quinolin-2-one is COCC(O)c1cc(Br)cc2c1NC(=O)CC2.
What is the InChIKey of 6-bromo-8-(1-hydroxy-2-methoxyethyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is QGMDQJXKVFOIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO3/c1-17-6-10(15)9-5-8(13)4-7-2-3-11(16)14-12(7)9/h4-5,10,15H,2-3,6H2,1H3,(H,14,16).
What are the key properties of 6-bromo-8-(1-hydroxy-2-methoxyethyl)-3,4-dihydro-1H-quinolin-2-one?
6-bromo-8-(1-hydroxy-2-methoxyethyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 300.15 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-(1-hydroxy-2-methoxyethyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 82174297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).