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

C16H10F3NO2 — CID 110424755

IUPAC1-(2,3,4-trifluorobenzoyl)-2,3-dihydroquinolin-4-one
SMILESO=C1CCN(C(=O)c2ccc(F)c(F)c2F)c2ccccc21
InChIInChI=1S/C16H10F3NO2/c17-11-6-5-10(14(18)15(11)19)16(22)20-8-7-13(21)9-3-1-2-4-12(9)20/h1-6H,7-8H2
InChIKeyGHCDCNIZCZOSER-UHFFFAOYSA-N
MW305.26 g/mol
LogP3.34
Rot. Bonds1

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

1-(2,3,4-trifluorobenzoyl)-2,3-dihydroquinolin-4-one (PubChem CID 110424755) has the molecular formula C16H10F3NO2 and a molecular weight of 305.26 g/mol. Its IUPAC name is 1-(2,3,4-trifluorobenzoyl)-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-(2,3,4-trifluorobenzoyl)-2,3-dihydroquinolin-4-one
PubChem CID110424755
Molecular FormulaC16H10F3NO2
Molecular Weight305.26 g/mol
Exact Mass305.07
IUPAC Name1-(2,3,4-trifluorobenzoyl)-2,3-dihydroquinolin-4-one
SMILESO=C1CCN(C(=O)c2ccc(F)c(F)c2F)c2ccccc21
InChIInChI=1S/C16H10F3NO2/c17-11-6-5-10(14(18)15(11)19)16(22)20-8-7-13(21)9-3-1-2-4-12(9)20/h1-6H,7-8H2
InChIKeyGHCDCNIZCZOSER-UHFFFAOYSA-N
XLogP3.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 53.34
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

6-chloro-1-(2,3,4-trifluorobenzoyl)-2,3-dihydroquinolin-4-one
CID 110406498
1-(2,3-dihydroxybenzoyl)-2,3-dihydroquinolin-4-one
CID 114343657
1-(3-bromo-4-fluorobenzoyl)-2,3-dihydroquinolin-4-one
CID 107951278
1-(2-fluoro-6-hydroxybenzoyl)-2,3-dihydroquinolin-4-one
CID 107014965
1-(2,4-dibromobenzoyl)-2,3-dihydroquinolin-4-one
CID 107939085
(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 110636848
1-(2,4-dichlorobenzoyl)-7-fluoro-2,3-dihydroquinolin-4-one
CID 10520959
1-(2-bromobenzoyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336539
1-(2-bromobenzoyl)-6-chloro-2,3-dihydroquinolin-4-one
CID 110634957
1-(adamantane-1-carbonyl)-2,3-dihydroquinolin-4-one
CID 72709163
1-[3-(2-fluorophenyl)propanoyl]-2,3-dihydroquinolin-4-one
CID 110612527
1-propanoyl-2,3-dihydroquinolin-4-one
CID 14501442

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4-trifluorobenzoyl)-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-(2,3,4-trifluorobenzoyl)-2,3-dihydroquinolin-4-one (CID 110424755) is 1-(2,3,4-trifluorobenzoyl)-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-(2,3,4-trifluorobenzoyl)-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-(2,3,4-trifluorobenzoyl)-2,3-dihydroquinolin-4-one is O=C1CCN(C(=O)c2ccc(F)c(F)c2F)c2ccccc21.
What is the InChIKey of 1-(2,3,4-trifluorobenzoyl)-2,3-dihydroquinolin-4-one?
The InChIKey is GHCDCNIZCZOSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NO2/c17-11-6-5-10(14(18)15(11)19)16(22)20-8-7-13(21)9-3-1-2-4-12(9)20/h1-6H,7-8H2.
What are the key properties of 1-(2,3,4-trifluorobenzoyl)-2,3-dihydroquinolin-4-one?
1-(2,3,4-trifluorobenzoyl)-2,3-dihydroquinolin-4-one has a molecular weight of 305.26 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4-trifluorobenzoyl)-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 110424755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).