6-chloro-1-(2,3,4-trifluorobenzoyl)-2,3-dihydroquinolin-4-one

C16H9ClF3NO2 — CID 110406498

IUPAC6-chloro-1-(2,3,4-trifluorobenzoyl)-2,3-dihydroquinolin-4-one
SMILESO=C1CCN(C(=O)c2ccc(F)c(F)c2F)c2ccc(Cl)cc21
InChIInChI=1S/C16H9ClF3NO2/c17-8-1-4-12-10(7-8)13(22)5-6-21(12)16(23)9-2-3-11(18)15(20)14(9)19/h1-4,7H,5-6H2
InChIKeyJETWGLIVPZQVJE-UHFFFAOYSA-N
MW339.70 g/mol
LogP3.99
Rot. Bonds1

About 6-chloro-1-(2,3,4-trifluorobenzoyl)-2,3-dihydroquinolin-4-one

6-chloro-1-(2,3,4-trifluorobenzoyl)-2,3-dihydroquinolin-4-one (PubChem CID 110406498) has the molecular formula C16H9ClF3NO2 and a molecular weight of 339.70 g/mol. Its IUPAC name is 6-chloro-1-(2,3,4-trifluorobenzoyl)-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name6-chloro-1-(2,3,4-trifluorobenzoyl)-2,3-dihydroquinolin-4-one
PubChem CID110406498
Molecular FormulaC16H9ClF3NO2
Molecular Weight339.70 g/mol
Exact Mass339.03
IUPAC Name6-chloro-1-(2,3,4-trifluorobenzoyl)-2,3-dihydroquinolin-4-one
SMILESO=C1CCN(C(=O)c2ccc(F)c(F)c2F)c2ccc(Cl)cc21
InChIInChI=1S/C16H9ClF3NO2/c17-8-1-4-12-10(7-8)13(22)5-6-21(12)16(23)9-2-3-11(18)15(20)14(9)19/h1-4,7H,5-6H2
InChIKeyJETWGLIVPZQVJE-UHFFFAOYSA-N
XLogP3.99
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.70
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(2,3,4-trifluorobenzoyl)-2,3-dihydroquinolin-4-one
CID 110424755
1-(2-bromobenzoyl)-6-chloro-2,3-dihydroquinolin-4-one
CID 110634957
1-(2,4-dichlorobenzoyl)-7-fluoro-2,3-dihydroquinolin-4-one
CID 10520959
7-chloro-1-(2-fluoro-4-nitrobenzoyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 139795640
(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 110636381
methyl 2-(7-chloro-5-oxo-3,4-dihydro-2H-1-benzazepine-1-carbonyl)-5-nitrobenzoate
CID 142567396
[(4E)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2,4-dichlorophenyl)methanone
CID 88518332
(6-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 28707202
7-chloro-1-(4-nitrobenzoyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 19607774
1-(3-bromo-4-fluorobenzoyl)-2,3-dihydroquinolin-4-one
CID 107951278
[(4E)-6-chloro-4-hydroxyimino-2,3-dihydroquinolin-1-yl]-(2,4-dichlorophenyl)methanone;methanesulfonic acid
CID 88518331
(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2,3,4-trifluorophenyl)methanone
CID 110639332

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(2,3,4-trifluorobenzoyl)-2,3-dihydroquinolin-4-one?
The IUPAC name of 6-chloro-1-(2,3,4-trifluorobenzoyl)-2,3-dihydroquinolin-4-one (CID 110406498) is 6-chloro-1-(2,3,4-trifluorobenzoyl)-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 6-chloro-1-(2,3,4-trifluorobenzoyl)-2,3-dihydroquinolin-4-one?
The canonical SMILES for 6-chloro-1-(2,3,4-trifluorobenzoyl)-2,3-dihydroquinolin-4-one is O=C1CCN(C(=O)c2ccc(F)c(F)c2F)c2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-(2,3,4-trifluorobenzoyl)-2,3-dihydroquinolin-4-one?
The InChIKey is JETWGLIVPZQVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF3NO2/c17-8-1-4-12-10(7-8)13(22)5-6-21(12)16(23)9-2-3-11(18)15(20)14(9)19/h1-4,7H,5-6H2.
What are the key properties of 6-chloro-1-(2,3,4-trifluorobenzoyl)-2,3-dihydroquinolin-4-one?
6-chloro-1-(2,3,4-trifluorobenzoyl)-2,3-dihydroquinolin-4-one has a molecular weight of 339.70 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2,3,4-trifluorobenzoyl)-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 110406498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).