N-(6-methyl-3-pyridinyl)-3-[4-(trifluoromethoxy)phenoxy]quinoxaline-2-carboxamide

C22H15F3N4O3 — CID 150985773

IUPACN-(6-methyl-3-pyridinyl)-3-[4-(trifluoromethoxy)phenoxy]quinoxaline-2-carboxamide
SMILESCc1ccc(NC(=O)c2nc3ccccc3nc2Oc2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C22H15F3N4O3/c1-13-6-7-14(12-26-13)27-20(30)19-21(29-18-5-3-2-4-17(18)28-19)31-15-8-10-16(11-9-15)32-22(23,24)25/h2-12H,1H3,(H,27,30)
InChIKeyLRBAGUTWRKTYLP-UHFFFAOYSA-N
MW440.38 g/mol
LogP5.28
Rot. Bonds5

About N-(6-methyl-3-pyridinyl)-3-[4-(trifluoromethoxy)phenoxy]quinoxaline-2-carboxamide

N-(6-methyl-3-pyridinyl)-3-[4-(trifluoromethoxy)phenoxy]quinoxaline-2-carboxamide (PubChem CID 150985773) has the molecular formula C22H15F3N4O3 and a molecular weight of 440.38 g/mol. Its IUPAC name is N-(6-methyl-3-pyridinyl)-3-[4-(trifluoromethoxy)phenoxy]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-3-pyridinyl)-3-[4-(trifluoromethoxy)phenoxy]quinoxaline-2-carboxamide
PubChem CID150985773
Molecular FormulaC22H15F3N4O3
Molecular Weight440.38 g/mol
Exact Mass440.11
IUPAC NameN-(6-methyl-3-pyridinyl)-3-[4-(trifluoromethoxy)phenoxy]quinoxaline-2-carboxamide
SMILESCc1ccc(NC(=O)c2nc3ccccc3nc2Oc2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C22H15F3N4O3/c1-13-6-7-14(12-26-13)27-20(30)19-21(29-18-5-3-2-4-17(18)28-19)31-15-8-10-16(11-9-15)32-22(23,24)25/h2-12H,1H3,(H,27,30)
InChIKeyLRBAGUTWRKTYLP-UHFFFAOYSA-N
XLogP5.28
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.38
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(6-methyl-3-pyridinyl)-3-[4-(trifluoromethoxy)phenoxy]quinoxaline-2-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

5-[[3-[4-(trifluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 78319394
5-[[3-[4-(2,2,2-trifluoroethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 78319871
5-[[3-[2-(difluoromethoxy)phenoxy]quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 78319873
N-(6-acetyl-3-pyridinyl)-3-[2-(difluoromethoxy)phenoxy]quinoxaline-2-carboxamide
CID 118375976
N-[6-(dimethylamino)-3-pyridinyl]-4-(trifluoromethoxy)benzamide
CID 37350824
N-[4-(4-methylphenoxy)phenyl]-4-(trifluoromethoxy)benzamide
CID 7925236
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(trifluoromethoxy)benzamide
CID 2728304
3-phenoxy-N-(3-sulfamoylphenyl)quinoxaline-2-carboxamide
CID 78319832
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
3-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 23633123
5-[[3-(4-chloro-2-methoxyphenoxy)quinoxaline-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 78319872
N-[2-(dimethylamino)pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide
CID 122297980

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-3-pyridinyl)-3-[4-(trifluoromethoxy)phenoxy]quinoxaline-2-carboxamide?
The IUPAC name of N-(6-methyl-3-pyridinyl)-3-[4-(trifluoromethoxy)phenoxy]quinoxaline-2-carboxamide (CID 150985773) is N-(6-methyl-3-pyridinyl)-3-[4-(trifluoromethoxy)phenoxy]quinoxaline-2-carboxamide.
What is the SMILES notation for N-(6-methyl-3-pyridinyl)-3-[4-(trifluoromethoxy)phenoxy]quinoxaline-2-carboxamide?
The canonical SMILES for N-(6-methyl-3-pyridinyl)-3-[4-(trifluoromethoxy)phenoxy]quinoxaline-2-carboxamide is Cc1ccc(NC(=O)c2nc3ccccc3nc2Oc2ccc(OC(F)(F)F)cc2)cn1.
What is the InChIKey of N-(6-methyl-3-pyridinyl)-3-[4-(trifluoromethoxy)phenoxy]quinoxaline-2-carboxamide?
The InChIKey is LRBAGUTWRKTYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N4O3/c1-13-6-7-14(12-26-13)27-20(30)19-21(29-18-5-3-2-4-17(18)28-19)31-15-8-10-16(11-9-15)32-22(23,24)25/h2-12H,1H3,(H,27,30).
What are the key properties of N-(6-methyl-3-pyridinyl)-3-[4-(trifluoromethoxy)phenoxy]quinoxaline-2-carboxamide?
N-(6-methyl-3-pyridinyl)-3-[4-(trifluoromethoxy)phenoxy]quinoxaline-2-carboxamide has a molecular weight of 440.38 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-3-pyridinyl)-3-[4-(trifluoromethoxy)phenoxy]quinoxaline-2-carboxamide is sourced from PubChem (CID 150985773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).