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

C24H26Br2N2O5 — CID 158343674

IUPAC6-bromo-8-hydroxy-3,4-dihydro-1H-quinolin-2-one;6-bromo-8-(oxan-3-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(Br)cc(O)c2N1.O=C1CCc2cc(Br)cc(OCC3CCCOC3)c2N1
InChIInChI=1S/C15H18BrNO3.C9H8BrNO2/c16-12-6-11-3-4-14(18)17-15(11)13(7-12)20-9-10-2-1-5-19-8-10;10-6-3-5-1-2-8(13)11-9(5)7(12)4-6/h6-7,10H,1-5,8-9H2,(H,17,18);3-4,12H,1-2H2,(H,11,13)
InChIKeyGRLSBQDGAOYDKA-UHFFFAOYSA-N
MW582.29 g/mol
LogP5.18
Rot. Bonds3

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

6-bromo-8-hydroxy-3,4-dihydro-1H-quinolin-2-one;6-bromo-8-(oxan-3-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 158343674) has the molecular formula C24H26Br2N2O5 and a molecular weight of 582.29 g/mol. Its IUPAC name is 6-bromo-8-hydroxy-3,4-dihydro-1H-quinolin-2-one;6-bromo-8-(oxan-3-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-bromo-8-hydroxy-3,4-dihydro-1H-quinolin-2-one;6-bromo-8-(oxan-3-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one
PubChem CID158343674
Molecular FormulaC24H26Br2N2O5
Molecular Weight582.29 g/mol
Exact Mass580.02
IUPAC Name6-bromo-8-hydroxy-3,4-dihydro-1H-quinolin-2-one;6-bromo-8-(oxan-3-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(Br)cc(O)c2N1.O=C1CCc2cc(Br)cc(OCC3CCCOC3)c2N1
InChIInChI=1S/C15H18BrNO3.C9H8BrNO2/c16-12-6-11-3-4-14(18)17-15(11)13(7-12)20-9-10-2-1-5-19-8-10;10-6-3-5-1-2-8(13)11-9(5)7(12)4-6/h6-7,10H,1-5,8-9H2,(H,17,18);3-4,12H,1-2H2,(H,11,13)
InChIKeyGRLSBQDGAOYDKA-UHFFFAOYSA-N
XLogP5.18
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.29
LogP ≤ 55.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-bromo-8-hydroxy-3,4-dihydro-1H-quinolin-2-one;6-bromo-8-(oxan-3-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

6-bromo-8-(oxan-3-ylmethoxy)-3,4-dihydro-1H-naphthalen-2-one;1,3-dimethyl-5-[4-(oxan-3-ylmethoxy)-6-oxo-7,8-dihydro-5H-naphthalen-2-yl]pyridin-2-one
CID 158682903
4-bromo-2-(oxolan-3-ylmethoxy)aniline
CID 65342327
3-[(2,4-dibromophenoxy)methyl]oxolane
CID 91641548
6-bromo-8-(1-hydroxy-2-methoxyethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82174297
8-(3-hydroxypropoxy)-6-(methylamino)-3,4-dihydro-1H-quinolin-2-one
CID 59150166
7-amino-6-(oxolan-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 43449973
(1R)-1-[5-bromo-2-(oxolan-3-ylmethoxy)phenyl]ethanol
CID 63365892
1-[5-bromo-2-(oxolan-3-ylmethoxy)phenyl]ethanol
CID 62378836
8-hydroxy-6-nitro-3,4-dihydro-1H-quinolin-2-one
CID 13051072
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-1-(oxan-3-yl)methanamine
CID 61021075
5-bromo-3-(ethylamino)-6-(oxolan-3-ylmethoxy)-1,3-dihydroindol-2-one
CID 79343293
5-bromo-1-(oxan-3-ylmethyl)pyrazol-4-ol
CID 117232366

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-hydroxy-3,4-dihydro-1H-quinolin-2-one;6-bromo-8-(oxan-3-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-bromo-8-hydroxy-3,4-dihydro-1H-quinolin-2-one;6-bromo-8-(oxan-3-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one (CID 158343674) is 6-bromo-8-hydroxy-3,4-dihydro-1H-quinolin-2-one;6-bromo-8-(oxan-3-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-bromo-8-hydroxy-3,4-dihydro-1H-quinolin-2-one;6-bromo-8-(oxan-3-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-bromo-8-hydroxy-3,4-dihydro-1H-quinolin-2-one;6-bromo-8-(oxan-3-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(Br)cc(O)c2N1.O=C1CCc2cc(Br)cc(OCC3CCCOC3)c2N1.
What is the InChIKey of 6-bromo-8-hydroxy-3,4-dihydro-1H-quinolin-2-one;6-bromo-8-(oxan-3-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is GRLSBQDGAOYDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO3.C9H8BrNO2/c16-12-6-11-3-4-14(18)17-15(11)13(7-12)20-9-10-2-1-5-19-8-10;10-6-3-5-1-2-8(13)11-9(5)7(12)4-6/h6-7,10H,1-5,8-9H2,(H,17,18);3-4,12H,1-2H2,(H,11,13).
What are the key properties of 6-bromo-8-hydroxy-3,4-dihydro-1H-quinolin-2-one;6-bromo-8-(oxan-3-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one?
6-bromo-8-hydroxy-3,4-dihydro-1H-quinolin-2-one;6-bromo-8-(oxan-3-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 582.29 g/mol, XLogP of 5.18, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-hydroxy-3,4-dihydro-1H-quinolin-2-one;6-bromo-8-(oxan-3-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 158343674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).