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

C13H16BrNO2 — CID 82174296

IUPAC6-bromo-8-(1-hydroxybutyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCCCC(O)c1cc(Br)cc2c1NC(=O)CC2
InChIInChI=1S/C13H16BrNO2/c1-2-3-11(16)10-7-9(14)6-8-4-5-12(17)15-13(8)10/h6-7,11,16H,2-5H2,1H3,(H,15,17)
InChIKeyFDZPTMFMXZEGDL-UHFFFAOYSA-N
MW298.18 g/mol
LogP3.17
Rot. Bonds3

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

6-bromo-8-(1-hydroxybutyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 82174296) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is 6-bromo-8-(1-hydroxybutyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-bromo-8-(1-hydroxybutyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID82174296
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name6-bromo-8-(1-hydroxybutyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCCCC(O)c1cc(Br)cc2c1NC(=O)CC2
InChIInChI=1S/C13H16BrNO2/c1-2-3-11(16)10-7-9(14)6-8-4-5-12(17)15-13(8)10/h6-7,11,16H,2-5H2,1H3,(H,15,17)
InChIKeyFDZPTMFMXZEGDL-UHFFFAOYSA-N
XLogP3.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-8-(1-hydroxy-2-methoxyethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82174297
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
8-ethyl-6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 82174002
7-chloro-6-(1-hydroxypropyl)-8-methyl-3,4-dihydro-1H-quinolin-2-one
CID 82174111
6-chloro-5-(1-hydroxybutyl)-7-methyl-1,3-dihydroindol-2-one
CID 82173804
1-(3,5-dibromophenyl)butan-1-ol
CID 107978200
6-ethyl-8-(1-hydroxy-2-thiophen-2-ylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82174207
5-(1-hydroxypentyl)-6,7-dimethyl-1,3-dihydroindol-2-one
CID 82173058
1-(5-bromo-2,3-dimethoxyphenyl)butan-1-ol
CID 83951303
5-chloro-7-(1-hydroxybutyl)-3,3-dimethyl-1H-indol-2-one
CID 82173457
8-[furan-2-yl(hydroxy)methyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 82174150

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-(1-hydroxybutyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-bromo-8-(1-hydroxybutyl)-3,4-dihydro-1H-quinolin-2-one (CID 82174296) is 6-bromo-8-(1-hydroxybutyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-bromo-8-(1-hydroxybutyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-bromo-8-(1-hydroxybutyl)-3,4-dihydro-1H-quinolin-2-one is CCCC(O)c1cc(Br)cc2c1NC(=O)CC2.
What is the InChIKey of 6-bromo-8-(1-hydroxybutyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is FDZPTMFMXZEGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c1-2-3-11(16)10-7-9(14)6-8-4-5-12(17)15-13(8)10/h6-7,11,16H,2-5H2,1H3,(H,15,17).
What are the key properties of 6-bromo-8-(1-hydroxybutyl)-3,4-dihydro-1H-quinolin-2-one?
6-bromo-8-(1-hydroxybutyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 298.18 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-(1-hydroxybutyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 82174296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).