N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide

C23H22F3N3O3 — CID 55799128

IUPACN-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C1CN(C(=O)c2ccc(NC(=O)C3CCCC(C(F)(F)F)C3)cc2)c2ccccc2N1
InChIInChI=1S/C23H22F3N3O3/c24-23(25,26)16-5-3-4-15(12-16)21(31)27-17-10-8-14(9-11-17)22(32)29-13-20(30)28-18-6-1-2-7-19(18)29/h1-2,6-11,15-16H,3-5,12-13H2,(H,27,31)(H,28,30)
InChIKeyFEVTXQQGFQJOKX-UHFFFAOYSA-N
MW445.44 g/mol
LogP4.59
Rot. Bonds3

About N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 55799128) has the molecular formula C23H22F3N3O3 and a molecular weight of 445.44 g/mol. Its IUPAC name is N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID55799128
Molecular FormulaC23H22F3N3O3
Molecular Weight445.44 g/mol
Exact Mass445.16
IUPAC NameN-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C1CN(C(=O)c2ccc(NC(=O)C3CCCC(C(F)(F)F)C3)cc2)c2ccccc2N1
InChIInChI=1S/C23H22F3N3O3/c24-23(25,26)16-5-3-4-15(12-16)21(31)27-17-10-8-14(9-11-17)22(32)29-13-20(30)28-18-6-1-2-7-19(18)29/h1-2,6-11,15-16H,3-5,12-13H2,(H,27,31)(H,28,30)
InChIKeyFEVTXQQGFQJOKX-UHFFFAOYSA-N
XLogP4.59
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.44
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide 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

1-cyclopentyl-5-oxo-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 55799094
1-butylsulfonyl-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 55799096
N-(4-formylphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106912255
N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 55750902
1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione
CID 2445640
2,3-dichloro-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55751105
(E)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-3-phenylprop-2-enamide
CID 55750852
4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55750721
N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55798615
3-acetamido-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55751098
N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 55520291
3,4-dimethoxy-N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]benzamide
CID 55750751

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 55799128) is N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide is O=C1CN(C(=O)c2ccc(NC(=O)C3CCCC(C(F)(F)F)C3)cc2)c2ccccc2N1.
What is the InChIKey of N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is FEVTXQQGFQJOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O3/c24-23(25,26)16-5-3-4-15(12-16)21(31)27-17-10-8-14(9-11-17)22(32)29-13-20(30)28-18-6-1-2-7-19(18)29/h1-2,6-11,15-16H,3-5,12-13H2,(H,27,31)(H,28,30).
What are the key properties of N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 445.44 g/mol, XLogP of 4.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 55799128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).