ethane;N-(2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-methylphenyl)acetamide

C24H27N3O — CID 143000993

IUPACethane;N-(2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-methylphenyl)acetamide
SMILESCC.Cc1ccc(CC(=O)Nc2nc3c(nc2C)-c2ccccc2CC3)cc1
InChIInChI=1S/C22H21N3O.C2H6/c1-14-7-9-16(10-8-14)13-20(26)25-22-15(2)23-21-18-6-4-3-5-17(18)11-12-19(21)24-22;1-2/h3-10H,11-13H2,1-2H3,(H,24,25,26);1-2H3
InChIKeyCWFKSHZNIHXNAD-UHFFFAOYSA-N
MW373.50 g/mol
LogP5.07
Rot. Bonds3

About ethane;N-(2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-methylphenyl)acetamide

ethane;N-(2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-methylphenyl)acetamide (PubChem CID 143000993) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is ethane;N-(2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Nameethane;N-(2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-methylphenyl)acetamide
PubChem CID143000993
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Nameethane;N-(2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-methylphenyl)acetamide
SMILESCC.Cc1ccc(CC(=O)Nc2nc3c(nc2C)-c2ccccc2CC3)cc1
InChIInChI=1S/C22H21N3O.C2H6/c1-14-7-9-16(10-8-14)13-20(26)25-22-15(2)23-21-18-6-4-3-5-17(18)11-12-19(21)24-22;1-2/h3-10H,11-13H2,1-2H3,(H,24,25,26);1-2H3
InChIKeyCWFKSHZNIHXNAD-UHFFFAOYSA-N
XLogP5.07
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;N-(2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-methylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-methylphenyl)acetamide?
The IUPAC name of ethane;N-(2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-methylphenyl)acetamide (CID 143000993) is ethane;N-(2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-methylphenyl)acetamide.
What is the SMILES notation for ethane;N-(2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-methylphenyl)acetamide?
The canonical SMILES for ethane;N-(2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-methylphenyl)acetamide is CC.Cc1ccc(CC(=O)Nc2nc3c(nc2C)-c2ccccc2CC3)cc1.
What is the InChIKey of ethane;N-(2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-methylphenyl)acetamide?
The InChIKey is CWFKSHZNIHXNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O.C2H6/c1-14-7-9-16(10-8-14)13-20(26)25-22-15(2)23-21-18-6-4-3-5-17(18)11-12-19(21)24-22;1-2/h3-10H,11-13H2,1-2H3,(H,24,25,26);1-2H3.
What are the key properties of ethane;N-(2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-methylphenyl)acetamide?
ethane;N-(2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-methylphenyl)acetamide has a molecular weight of 373.50 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 143000993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).