1-(2,4-dibromobenzoyl)-2,3-dihydroquinolin-4-one

C16H11Br2NO2 — CID 107939085

IUPAC1-(2,4-dibromobenzoyl)-2,3-dihydroquinolin-4-one
SMILESO=C1CCN(C(=O)c2ccc(Br)cc2Br)c2ccccc21
InChIInChI=1S/C16H11Br2NO2/c17-10-5-6-11(13(18)9-10)16(21)19-8-7-15(20)12-3-1-2-4-14(12)19/h1-6,9H,7-8H2
InChIKeyJOHGSESTVAXASV-UHFFFAOYSA-N
MW409.08 g/mol
LogP4.44
Rot. Bonds1

About 1-(2,4-dibromobenzoyl)-2,3-dihydroquinolin-4-one

1-(2,4-dibromobenzoyl)-2,3-dihydroquinolin-4-one (PubChem CID 107939085) has the molecular formula C16H11Br2NO2 and a molecular weight of 409.08 g/mol. Its IUPAC name is 1-(2,4-dibromobenzoyl)-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-(2,4-dibromobenzoyl)-2,3-dihydroquinolin-4-one
PubChem CID107939085
Molecular FormulaC16H11Br2NO2
Molecular Weight409.08 g/mol
Exact Mass406.92
IUPAC Name1-(2,4-dibromobenzoyl)-2,3-dihydroquinolin-4-one
SMILESO=C1CCN(C(=O)c2ccc(Br)cc2Br)c2ccccc21
InChIInChI=1S/C16H11Br2NO2/c17-10-5-6-11(13(18)9-10)16(21)19-8-7-15(20)12-3-1-2-4-14(12)19/h1-6,9H,7-8H2
InChIKeyJOHGSESTVAXASV-UHFFFAOYSA-N
XLogP4.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.08
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromobenzoyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336539
1-(2,3-dihydroxybenzoyl)-2,3-dihydroquinolin-4-one
CID 114343657
1-(2-bromobenzoyl)-6-chloro-2,3-dihydroquinolin-4-one
CID 110634957
1-(3-bromo-4-fluorobenzoyl)-2,3-dihydroquinolin-4-one
CID 107951278
1-(2,3,4-trifluorobenzoyl)-2,3-dihydroquinolin-4-one
CID 110424755
1-(4,5-dibromothiophene-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336639
1-(5-methylfuran-3-carbonyl)-2,3-dihydroquinolin-4-one
CID 114820791
1-(4-bromobenzoyl)-6-methyl-2,3-dihydroquinolin-4-one
CID 110634836
1-propanoyl-2,3-dihydroquinolin-4-one
CID 14501442
(4-bromo-2-sulfanylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 107021560
1-(2-fluoro-6-hydroxybenzoyl)-2,3-dihydroquinolin-4-one
CID 107014965
(4-bromo-2-sulfanylphenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 107031391

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromobenzoyl)-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-(2,4-dibromobenzoyl)-2,3-dihydroquinolin-4-one (CID 107939085) is 1-(2,4-dibromobenzoyl)-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-(2,4-dibromobenzoyl)-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-(2,4-dibromobenzoyl)-2,3-dihydroquinolin-4-one is O=C1CCN(C(=O)c2ccc(Br)cc2Br)c2ccccc21.
What is the InChIKey of 1-(2,4-dibromobenzoyl)-2,3-dihydroquinolin-4-one?
The InChIKey is JOHGSESTVAXASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Br2NO2/c17-10-5-6-11(13(18)9-10)16(21)19-8-7-15(20)12-3-1-2-4-14(12)19/h1-6,9H,7-8H2.
What are the key properties of 1-(2,4-dibromobenzoyl)-2,3-dihydroquinolin-4-one?
1-(2,4-dibromobenzoyl)-2,3-dihydroquinolin-4-one has a molecular weight of 409.08 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromobenzoyl)-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 107939085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).