7-fluoro-6-(3-fluorobenzoyl)-3,4-dihydro-1H-quinolin-2-one

C16H11F2NO2 — CID 43457547

IUPAC7-fluoro-6-(3-fluorobenzoyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(=O)c3cccc(F)c3)c(F)cc2N1
InChIInChI=1S/C16H11F2NO2/c17-11-3-1-2-10(6-11)16(21)12-7-9-4-5-15(20)19-14(9)8-13(12)18/h1-3,6-8H,4-5H2,(H,19,20)
InChIKeyJEEOEQFLEFFPAB-UHFFFAOYSA-N
MW287.27 g/mol
LogP3.08
Rot. Bonds2

About 7-fluoro-6-(3-fluorobenzoyl)-3,4-dihydro-1H-quinolin-2-one

7-fluoro-6-(3-fluorobenzoyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43457547) has the molecular formula C16H11F2NO2 and a molecular weight of 287.27 g/mol. Its IUPAC name is 7-fluoro-6-(3-fluorobenzoyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-6-(3-fluorobenzoyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID43457547
Molecular FormulaC16H11F2NO2
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name7-fluoro-6-(3-fluorobenzoyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(=O)c3cccc(F)c3)c(F)cc2N1
InChIInChI=1S/C16H11F2NO2/c17-11-3-1-2-10(6-11)16(21)12-7-9-4-5-15(20)19-14(9)8-13(12)18/h1-3,6-8H,4-5H2,(H,19,20)
InChIKeyJEEOEQFLEFFPAB-UHFFFAOYSA-N
XLogP3.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-fluoro-6-(3-fluorobenzoyl)-3,4-dihydro-1H-quinolin-2-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

7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid
CID 43453281
6-(2,2-dimethylpropanoyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457528
6-(5-fluoro-2-methylbenzoyl)-3,4-dihydro-1H-quinolin-2-one
CID 63049807
6-(cyclopentanecarbonyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457549
(2,5-difluorophenyl)-(3-fluorophenyl)methanone
CID 43159843
7-fluoro-6-(3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 43457554
4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 65298263
6-[bromo-(3-fluorophenyl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 61096589
4-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2,3-dimethyl-4-oxobutanoic acid
CID 103500030
7-fluoro-6-(oxolane-2-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 43457544
2-[2-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-oxoethoxy]acetic acid
CID 61327398
7-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 97331257

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-(3-fluorobenzoyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-fluoro-6-(3-fluorobenzoyl)-3,4-dihydro-1H-quinolin-2-one (CID 43457547) is 7-fluoro-6-(3-fluorobenzoyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-fluoro-6-(3-fluorobenzoyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-fluoro-6-(3-fluorobenzoyl)-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C(=O)c3cccc(F)c3)c(F)cc2N1.
What is the InChIKey of 7-fluoro-6-(3-fluorobenzoyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is JEEOEQFLEFFPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NO2/c17-11-3-1-2-10(6-11)16(21)12-7-9-4-5-15(20)19-14(9)8-13(12)18/h1-3,6-8H,4-5H2,(H,19,20).
What are the key properties of 7-fluoro-6-(3-fluorobenzoyl)-3,4-dihydro-1H-quinolin-2-one?
7-fluoro-6-(3-fluorobenzoyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 287.27 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-(3-fluorobenzoyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43457547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).