4-(2,2,2-trifluoroacetyl)-1,3-dihydroquinoxalin-2-one

C10H7F3N2O2 — CID 4749914

IUPAC4-(2,2,2-trifluoroacetyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)C(F)(F)F)c2ccccc2N1
InChIInChI=1S/C10H7F3N2O2/c11-10(12,13)9(17)15-5-8(16)14-6-3-1-2-4-7(6)15/h1-4H,5H2,(H,14,16)
InChIKeyKVVNNFDBTHDKJY-UHFFFAOYSA-N
MW244.17 g/mol
LogP1.53
Rot. Bonds

About 4-(2,2,2-trifluoroacetyl)-1,3-dihydroquinoxalin-2-one

4-(2,2,2-trifluoroacetyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 4749914) has the molecular formula C10H7F3N2O2 and a molecular weight of 244.17 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroacetyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(2,2,2-trifluoroacetyl)-1,3-dihydroquinoxalin-2-one
PubChem CID4749914
Molecular FormulaC10H7F3N2O2
Molecular Weight244.17 g/mol
Exact Mass244.05
IUPAC Name4-(2,2,2-trifluoroacetyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)C(F)(F)F)c2ccccc2N1
InChIInChI=1S/C10H7F3N2O2/c11-10(12,13)9(17)15-5-8(16)14-6-3-1-2-4-7(6)15/h1-4H,5H2,(H,14,16)
InChIKeyKVVNNFDBTHDKJY-UHFFFAOYSA-N
XLogP1.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2,2,2-trifluoroacetyl)-1,3-dihydroquinoxalin-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

4-(2-amino-2-ethylbutanoyl)-1,3-dihydroquinoxalin-2-one
CID 79810105
4-[2-(ethylamino)-2-methylpropanoyl]-1,3-dihydroquinoxalin-2-one
CID 62833211
4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one
CID 107902910
4-(2-nitrosoacetyl)-1,3-dihydroquinoxalin-2-one
CID 54465544
2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetohydrazide
CID 43164015
1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione
CID 2445640
4-[(2S)-2-amino-3,3-dimethylbutanoyl]-1,3-dihydroquinoxalin-2-one
CID 61148811
4-ethanimidoyl-1,3-dihydroquinoxalin-2-one
CID 63172914
4-[1-(aminomethyl)cyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one
CID 80587760
4-[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one
CID 30094711
4-(3-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one
CID 3159804
4-(2,3-difluorobenzoyl)-1,3-dihydroquinoxalin-2-one
CID 60620753

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroacetyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(2,2,2-trifluoroacetyl)-1,3-dihydroquinoxalin-2-one (CID 4749914) is 4-(2,2,2-trifluoroacetyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(2,2,2-trifluoroacetyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(2,2,2-trifluoroacetyl)-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)C(F)(F)F)c2ccccc2N1.
What is the InChIKey of 4-(2,2,2-trifluoroacetyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is KVVNNFDBTHDKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2/c11-10(12,13)9(17)15-5-8(16)14-6-3-1-2-4-7(6)15/h1-4H,5H2,(H,14,16).
What are the key properties of 4-(2,2,2-trifluoroacetyl)-1,3-dihydroquinoxalin-2-one?
4-(2,2,2-trifluoroacetyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 244.17 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroacetyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 4749914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).