1-(3-bromo-4-fluorobenzoyl)-2,3-dihydroquinolin-4-one

C16H11BrFNO2 — CID 107951278

IUPAC1-(3-bromo-4-fluorobenzoyl)-2,3-dihydroquinolin-4-one
SMILESO=C1CCN(C(=O)c2ccc(F)c(Br)c2)c2ccccc21
InChIInChI=1S/C16H11BrFNO2/c17-12-9-10(5-6-13(12)18)16(21)19-8-7-15(20)11-3-1-2-4-14(11)19/h1-6,9H,7-8H2
InChIKeyIHKSNPAZXZGBSP-UHFFFAOYSA-N
MW348.17 g/mol
LogP3.82
Rot. Bonds1

About 1-(3-bromo-4-fluorobenzoyl)-2,3-dihydroquinolin-4-one

1-(3-bromo-4-fluorobenzoyl)-2,3-dihydroquinolin-4-one (PubChem CID 107951278) has the molecular formula C16H11BrFNO2 and a molecular weight of 348.17 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorobenzoyl)-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-(3-bromo-4-fluorobenzoyl)-2,3-dihydroquinolin-4-one
PubChem CID107951278
Molecular FormulaC16H11BrFNO2
Molecular Weight348.17 g/mol
Exact Mass347.00
IUPAC Name1-(3-bromo-4-fluorobenzoyl)-2,3-dihydroquinolin-4-one
SMILESO=C1CCN(C(=O)c2ccc(F)c(Br)c2)c2ccccc21
InChIInChI=1S/C16H11BrFNO2/c17-12-9-10(5-6-13(12)18)16(21)19-8-7-15(20)11-3-1-2-4-14(11)19/h1-6,9H,7-8H2
InChIKeyIHKSNPAZXZGBSP-UHFFFAOYSA-N
XLogP3.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.17
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromo-4-fluorobenzoyl)-2,3-dihydroquinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3,4-trifluorobenzoyl)-2,3-dihydroquinolin-4-one
CID 110424755
1-(2,4-dibromobenzoyl)-2,3-dihydroquinolin-4-one
CID 107939085
1-(2-fluoro-6-hydroxybenzoyl)-2,3-dihydroquinolin-4-one
CID 107014965
1-(5-methylfuran-3-carbonyl)-2,3-dihydroquinolin-4-one
CID 114820791
1-(2-bromobenzoyl)-6-chloro-2,3-dihydroquinolin-4-one
CID 110634957
1-(2-bromobenzoyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336539
1-(3,4-difluorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one
CID 110406834
1-(4-aminobenzoyl)-2,3,4,5-tetrahydro-1-benzazocin-6-one
CID 19608125
1-(4-bromobenzoyl)-6-methyl-2,3-dihydroquinolin-4-one
CID 110634836
1-(3-fluorobenzoyl)-7-methoxy-2,3-dihydroquinolin-4-one
CID 110635602
1-(4-fluorobenzoyl)-7-methoxy-2,3-dihydroquinolin-4-one
CID 110635603
2,3-dihydroindol-1-yl-(4-fluoro-3-piperidin-1-ylsulfonylphenyl)methanone
CID 26681076

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorobenzoyl)-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-(3-bromo-4-fluorobenzoyl)-2,3-dihydroquinolin-4-one (CID 107951278) is 1-(3-bromo-4-fluorobenzoyl)-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-(3-bromo-4-fluorobenzoyl)-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-(3-bromo-4-fluorobenzoyl)-2,3-dihydroquinolin-4-one is O=C1CCN(C(=O)c2ccc(F)c(Br)c2)c2ccccc21.
What is the InChIKey of 1-(3-bromo-4-fluorobenzoyl)-2,3-dihydroquinolin-4-one?
The InChIKey is IHKSNPAZXZGBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFNO2/c17-12-9-10(5-6-13(12)18)16(21)19-8-7-15(20)11-3-1-2-4-14(11)19/h1-6,9H,7-8H2.
What are the key properties of 1-(3-bromo-4-fluorobenzoyl)-2,3-dihydroquinolin-4-one?
1-(3-bromo-4-fluorobenzoyl)-2,3-dihydroquinolin-4-one has a molecular weight of 348.17 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorobenzoyl)-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 107951278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).