1-(2,4-dichlorobenzoyl)-7-fluoro-2,3-dihydroquinolin-4-one

C16H10Cl2FNO2 — CID 10520959

IUPAC1-(2,4-dichlorobenzoyl)-7-fluoro-2,3-dihydroquinolin-4-one
SMILESO=C1CCN(C(=O)c2ccc(Cl)cc2Cl)c2cc(F)ccc21
InChIInChI=1S/C16H10Cl2FNO2/c17-9-1-3-11(13(18)7-9)16(22)20-6-5-15(21)12-4-2-10(19)8-14(12)20/h1-4,7-8H,5-6H2
InChIKeyIZYYFRKFNVHNNI-UHFFFAOYSA-N
MW338.17 g/mol
LogP4.37
Rot. Bonds1

About 1-(2,4-dichlorobenzoyl)-7-fluoro-2,3-dihydroquinolin-4-one

1-(2,4-dichlorobenzoyl)-7-fluoro-2,3-dihydroquinolin-4-one (PubChem CID 10520959) has the molecular formula C16H10Cl2FNO2 and a molecular weight of 338.17 g/mol. Its IUPAC name is 1-(2,4-dichlorobenzoyl)-7-fluoro-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-(2,4-dichlorobenzoyl)-7-fluoro-2,3-dihydroquinolin-4-one
PubChem CID10520959
Molecular FormulaC16H10Cl2FNO2
Molecular Weight338.17 g/mol
Exact Mass337.01
IUPAC Name1-(2,4-dichlorobenzoyl)-7-fluoro-2,3-dihydroquinolin-4-one
SMILESO=C1CCN(C(=O)c2ccc(Cl)cc2Cl)c2cc(F)ccc21
InChIInChI=1S/C16H10Cl2FNO2/c17-9-1-3-11(13(18)7-9)16(22)20-6-5-15(21)12-4-2-10(19)8-14(12)20/h1-4,7-8H,5-6H2
InChIKeyIZYYFRKFNVHNNI-UHFFFAOYSA-N
XLogP4.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.17
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-1-(2,3,4-trifluorobenzoyl)-2,3-dihydroquinolin-4-one
CID 110406498
1-(2,3,4-trifluorobenzoyl)-2,3-dihydroquinolin-4-one
CID 110424755
[(4E)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2,4-dichlorophenyl)methanone
CID 88518332
1-(2,4-dichlorobenzoyl)pyrrolidin-2-one
CID 15614171
(3-chloro-4-pyridinyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103714816
1-(2-bromobenzoyl)-6-chloro-2,3-dihydroquinolin-4-one
CID 110634957
1-(4-fluorobenzoyl)-7-methoxy-2,3-dihydroquinolin-4-one
CID 110635603
1-(2,4-dichlorobenzoyl)piperidin-4-one
CID 24690626
[(4E)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2,4-dichlorophenyl)methanone;methanesulfonic acid
CID 88518331
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-4-fluorophenyl)methanone
CID 62266898
(2-chloro-5-sulfanylphenyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 107037112
(2,4-dichlorophenyl)-(1-oxo-2,3-dihydro-1λ4,4-benzothiazin-4-yl)methanone
CID 110738207

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorobenzoyl)-7-fluoro-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-(2,4-dichlorobenzoyl)-7-fluoro-2,3-dihydroquinolin-4-one (CID 10520959) is 1-(2,4-dichlorobenzoyl)-7-fluoro-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-(2,4-dichlorobenzoyl)-7-fluoro-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-(2,4-dichlorobenzoyl)-7-fluoro-2,3-dihydroquinolin-4-one is O=C1CCN(C(=O)c2ccc(Cl)cc2Cl)c2cc(F)ccc21.
What is the InChIKey of 1-(2,4-dichlorobenzoyl)-7-fluoro-2,3-dihydroquinolin-4-one?
The InChIKey is IZYYFRKFNVHNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2FNO2/c17-9-1-3-11(13(18)7-9)16(22)20-6-5-15(21)12-4-2-10(19)8-14(12)20/h1-4,7-8H,5-6H2.
What are the key properties of 1-(2,4-dichlorobenzoyl)-7-fluoro-2,3-dihydroquinolin-4-one?
1-(2,4-dichlorobenzoyl)-7-fluoro-2,3-dihydroquinolin-4-one has a molecular weight of 338.17 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorobenzoyl)-7-fluoro-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 10520959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).