quinoxalin-2-yl-(2,3,4-trifluorophenyl)methanone

C15H7F3N2O — CID 107356717

IUPACquinoxalin-2-yl-(2,3,4-trifluorophenyl)methanone
SMILESO=C(c1cnc2ccccc2n1)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H7F3N2O/c16-9-6-5-8(13(17)14(9)18)15(21)12-7-19-10-3-1-2-4-11(10)20-12/h1-7H
InChIKeyKEVOGXXOYAAFDE-UHFFFAOYSA-N
MW288.23 g/mol
LogP3.28
Rot. Bonds2

About quinoxalin-2-yl-(2,3,4-trifluorophenyl)methanone

quinoxalin-2-yl-(2,3,4-trifluorophenyl)methanone (PubChem CID 107356717) has the molecular formula C15H7F3N2O and a molecular weight of 288.23 g/mol. Its IUPAC name is quinoxalin-2-yl-(2,3,4-trifluorophenyl)methanone.

Molecular Properties

Compound Namequinoxalin-2-yl-(2,3,4-trifluorophenyl)methanone
PubChem CID107356717
Molecular FormulaC15H7F3N2O
Molecular Weight288.23 g/mol
Exact Mass288.05
IUPAC Namequinoxalin-2-yl-(2,3,4-trifluorophenyl)methanone
SMILESO=C(c1cnc2ccccc2n1)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H7F3N2O/c16-9-6-5-8(13(17)14(9)18)15(21)12-7-19-10-3-1-2-4-11(10)20-12/h1-7H
InChIKeyKEVOGXXOYAAFDE-UHFFFAOYSA-N
XLogP3.28
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

quinoxalin-2-yl-(3,4,5-trihydroxyphenyl)methanone
CID 136707547
(2-fluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 55181517
quinoxalin-2-yl quinoxaline-2-carboxylate
CID 177101519
(3-quinoxalin-2-yloxypyrrolidin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 126852274
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] quinoxaline-2-carboxylate
CID 23773548
(2,6-difluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 79522795
ethyl quinoxaline-2-carboxylate
CID 582701
(2,3,4,5,6-pentafluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 141431746
N-[1-(3,4-difluorophenyl)ethyl]quinoxaline-2-carboxamide
CID 134013463
cyclohepten-1-yl(quinoxalin-2-yl)methanone
CID 107356849
(4-propylphenyl)-quinoxalin-2-ylmethanone
CID 107356711
N-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methylquinoxaline-2-carboxamide
CID 31351364

Frequently Asked Questions

What is the IUPAC name of quinoxalin-2-yl-(2,3,4-trifluorophenyl)methanone?
The IUPAC name of quinoxalin-2-yl-(2,3,4-trifluorophenyl)methanone (CID 107356717) is quinoxalin-2-yl-(2,3,4-trifluorophenyl)methanone.
What is the SMILES notation for quinoxalin-2-yl-(2,3,4-trifluorophenyl)methanone?
The canonical SMILES for quinoxalin-2-yl-(2,3,4-trifluorophenyl)methanone is O=C(c1cnc2ccccc2n1)c1ccc(F)c(F)c1F.
What is the InChIKey of quinoxalin-2-yl-(2,3,4-trifluorophenyl)methanone?
The InChIKey is KEVOGXXOYAAFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F3N2O/c16-9-6-5-8(13(17)14(9)18)15(21)12-7-19-10-3-1-2-4-11(10)20-12/h1-7H.
What are the key properties of quinoxalin-2-yl-(2,3,4-trifluorophenyl)methanone?
quinoxalin-2-yl-(2,3,4-trifluorophenyl)methanone has a molecular weight of 288.23 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinoxalin-2-yl-(2,3,4-trifluorophenyl)methanone is sourced from PubChem (CID 107356717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).