N-(2-imidazol-1-yl-1-phenylethyl)-2,3-dimethylquinoxaline-6-carboxamide

C22H21N5O — CID 72859785

IUPACN-(2-imidazol-1-yl-1-phenylethyl)-2,3-dimethylquinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NC(Cn3ccnc3)c3ccccc3)cc2nc1C
InChIInChI=1S/C22H21N5O/c1-15-16(2)25-20-12-18(8-9-19(20)24-15)22(28)26-21(13-27-11-10-23-14-27)17-6-4-3-5-7-17/h3-12,14,21H,13H2,1-2H3,(H,26,28)
InChIKeyONJKLMGYGMJABS-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.61
Rot. Bonds5

About N-(2-imidazol-1-yl-1-phenylethyl)-2,3-dimethylquinoxaline-6-carboxamide

N-(2-imidazol-1-yl-1-phenylethyl)-2,3-dimethylquinoxaline-6-carboxamide (PubChem CID 72859785) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(2-imidazol-1-yl-1-phenylethyl)-2,3-dimethylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-yl-1-phenylethyl)-2,3-dimethylquinoxaline-6-carboxamide
PubChem CID72859785
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC NameN-(2-imidazol-1-yl-1-phenylethyl)-2,3-dimethylquinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NC(Cn3ccnc3)c3ccccc3)cc2nc1C
InChIInChI=1S/C22H21N5O/c1-15-16(2)25-20-12-18(8-9-19(20)24-15)22(28)26-21(13-27-11-10-23-14-27)17-6-4-3-5-7-17/h3-12,14,21H,13H2,1-2H3,(H,26,28)
InChIKeyONJKLMGYGMJABS-UHFFFAOYSA-N
XLogP3.61
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-imidazol-1-yl-1-phenylethyl)-2,3-dimethylquinoxaline-6-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

N-(2-imidazol-1-yl-1-phenylethyl)-2H-benzotriazole-5-carboxamide
CID 77089106
ethane;N-(2-imidazol-1-yl-1-phenylethyl)-4-phenylbenzamide
CID 161441611
N-(2-imidazol-1-yl-1-phenylethyl)-4-pyridin-4-ylbenzamide
CID 68512339
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide
CID 99930822
3-(2,6-diaminopyrimidin-4-yl)-N-(2-imidazol-1-yl-1-phenylethyl)benzamide
CID 169416226
N-(2-imidazol-1-yl-1-phenylethyl)-3-methyl-4-(trifluoromethylsulfonylamino)benzamide
CID 166391991
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-3-methylfuran-2-carboxamide
CID 95197180
N-[(1R)-1,2-diphenylethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 95297781
N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110306222
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 99958729
N-(2-imidazol-1-yl-1-phenylethyl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 77097472
4-benzamido-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 94159344

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-yl-1-phenylethyl)-2,3-dimethylquinoxaline-6-carboxamide?
The IUPAC name of N-(2-imidazol-1-yl-1-phenylethyl)-2,3-dimethylquinoxaline-6-carboxamide (CID 72859785) is N-(2-imidazol-1-yl-1-phenylethyl)-2,3-dimethylquinoxaline-6-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-yl-1-phenylethyl)-2,3-dimethylquinoxaline-6-carboxamide?
The canonical SMILES for N-(2-imidazol-1-yl-1-phenylethyl)-2,3-dimethylquinoxaline-6-carboxamide is Cc1nc2ccc(C(=O)NC(Cn3ccnc3)c3ccccc3)cc2nc1C.
What is the InChIKey of N-(2-imidazol-1-yl-1-phenylethyl)-2,3-dimethylquinoxaline-6-carboxamide?
The InChIKey is ONJKLMGYGMJABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-15-16(2)25-20-12-18(8-9-19(20)24-15)22(28)26-21(13-27-11-10-23-14-27)17-6-4-3-5-7-17/h3-12,14,21H,13H2,1-2H3,(H,26,28).
What are the key properties of N-(2-imidazol-1-yl-1-phenylethyl)-2,3-dimethylquinoxaline-6-carboxamide?
N-(2-imidazol-1-yl-1-phenylethyl)-2,3-dimethylquinoxaline-6-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-yl-1-phenylethyl)-2,3-dimethylquinoxaline-6-carboxamide is sourced from PubChem (CID 72859785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).