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

C15H13BrN2O2 — CID 126587454

IUPAC6-bromo-8-(pyridin-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(Br)cc(OCc3ccccn3)c2N1
InChIInChI=1S/C15H13BrN2O2/c16-11-7-10-4-5-14(19)18-15(10)13(8-11)20-9-12-3-1-2-6-17-12/h1-3,6-8H,4-5,9H2,(H,18,19)
InChIKeyUWRPIEJVQPOFRV-UHFFFAOYSA-N
MW333.19 g/mol
LogP3.31
Rot. Bonds3

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

6-bromo-8-(pyridin-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 126587454) has the molecular formula C15H13BrN2O2 and a molecular weight of 333.19 g/mol. Its IUPAC name is 6-bromo-8-(pyridin-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-bromo-8-(pyridin-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one
PubChem CID126587454
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC Name6-bromo-8-(pyridin-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(Br)cc(OCc3ccccn3)c2N1
InChIInChI=1S/C15H13BrN2O2/c16-11-7-10-4-5-14(19)18-15(10)13(8-11)20-9-12-3-1-2-6-17-12/h1-3,6-8H,4-5,9H2,(H,18,19)
InChIKeyUWRPIEJVQPOFRV-UHFFFAOYSA-N
XLogP3.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-8-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one;6-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one
CID 161223377
5-bromo-2-(pyridin-2-ylmethoxy)benzoic acid
CID 28981361
2-[(2-bromo-4-tert-butylphenoxy)methyl]pyridine
CID 170931613
N-acetyl-N-(5-bromo-2,3-dihydro-1H-indol-7-yl)-2-pyridin-2-ylacetamide
CID 112537380
5-bromo-2-(pyridin-2-ylmethoxy)benzonitrile
CID 80601974
6-(4-pyridin-2-ylsulfanylbutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 20539996
(1S)-1-[5-bromo-2-(pyridin-2-ylmethoxy)phenyl]ethanamine
CID 78937400
2-(pyridin-2-ylmethoxy)benzenethiol
CID 146174195
6-bromo-8-(1-hydroxy-2-methoxyethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82174297
7-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-(pyridin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one
CID 146807908
6-amino-7-[(3-bromophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 82804474
1-[5-bromo-3-fluoro-2-(pyridin-2-ylmethoxy)phenyl]ethanone
CID 84600427

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-(pyridin-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-bromo-8-(pyridin-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one (CID 126587454) is 6-bromo-8-(pyridin-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-bromo-8-(pyridin-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-bromo-8-(pyridin-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(Br)cc(OCc3ccccn3)c2N1.
What is the InChIKey of 6-bromo-8-(pyridin-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is UWRPIEJVQPOFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c16-11-7-10-4-5-14(19)18-15(10)13(8-11)20-9-12-3-1-2-6-17-12/h1-3,6-8H,4-5,9H2,(H,18,19).
What are the key properties of 6-bromo-8-(pyridin-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one?
6-bromo-8-(pyridin-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 333.19 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-(pyridin-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 126587454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).