6-(3,5-dibromobenzoyl)-3,4-dihydro-1H-quinolin-2-one

C16H11Br2NO2 — CID 107979594

IUPAC6-(3,5-dibromobenzoyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(=O)c3cc(Br)cc(Br)c3)ccc2N1
InChIInChI=1S/C16H11Br2NO2/c17-12-6-11(7-13(18)8-12)16(21)10-1-3-14-9(5-10)2-4-15(20)19-14/h1,3,5-8H,2,4H2,(H,19,20)
InChIKeyMEZIWZQNKLGRNL-UHFFFAOYSA-N
MW409.08 g/mol
LogP4.33
Rot. Bonds2

About 6-(3,5-dibromobenzoyl)-3,4-dihydro-1H-quinolin-2-one

6-(3,5-dibromobenzoyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 107979594) has the molecular formula C16H11Br2NO2 and a molecular weight of 409.08 g/mol. Its IUPAC name is 6-(3,5-dibromobenzoyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(3,5-dibromobenzoyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID107979594
Molecular FormulaC16H11Br2NO2
Molecular Weight409.08 g/mol
Exact Mass406.92
IUPAC Name6-(3,5-dibromobenzoyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(=O)c3cc(Br)cc(Br)c3)ccc2N1
InChIInChI=1S/C16H11Br2NO2/c17-12-6-11(7-13(18)8-12)16(21)10-1-3-14-9(5-10)2-4-15(20)19-14/h1,3,5-8H,2,4H2,(H,19,20)
InChIKeyMEZIWZQNKLGRNL-UHFFFAOYSA-N
XLogP4.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.08
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(3-bromo-5-chlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one
CID 107949673
5-(3-bromo-5-methylbenzoyl)-1,3-dihydroindol-2-one
CID 104850942
6-(2,6-dichlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one
CID 43160665
methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992
6-[bromo-(3,5-dibromophenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 107980890
6-(3-ethylthiophene-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 79985526
(3,5-dibromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 107979596
6-(pyrrole-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 70502328
6-(2-amino-2-methylpropanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 116915356
6-(2-propylpentanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 82984767
6-(5-fluoro-2-methylbenzoyl)-3,4-dihydro-1H-quinolin-2-one
CID 63049807
6-(3-amino-2-chlorobenzoyl)-3,4-dihydro-1H-quinolin-2-one
CID 115937318

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dibromobenzoyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(3,5-dibromobenzoyl)-3,4-dihydro-1H-quinolin-2-one (CID 107979594) is 6-(3,5-dibromobenzoyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(3,5-dibromobenzoyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(3,5-dibromobenzoyl)-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C(=O)c3cc(Br)cc(Br)c3)ccc2N1.
What is the InChIKey of 6-(3,5-dibromobenzoyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is MEZIWZQNKLGRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Br2NO2/c17-12-6-11(7-13(18)8-12)16(21)10-1-3-14-9(5-10)2-4-15(20)19-14/h1,3,5-8H,2,4H2,(H,19,20).
What are the key properties of 6-(3,5-dibromobenzoyl)-3,4-dihydro-1H-quinolin-2-one?
6-(3,5-dibromobenzoyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 409.08 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dibromobenzoyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 107979594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).