2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide

C29H30N4O3 — CID 50747295

IUPAC2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
SMILESCC(=O)Nc1ccc(C)cc1-c1nc2ccccc2n(C(C)C(=O)Nc2c(C)cc(C)cc2C)c1=O
InChIInChI=1S/C29H30N4O3/c1-16-11-12-23(30-21(6)34)22(15-16)27-29(36)33(25-10-8-7-9-24(25)31-27)20(5)28(35)32-26-18(3)13-17(2)14-19(26)4/h7-15,20H,1-6H3,(H,30,34)(H,32,35)
InChIKeySMXZUMKYHYQMRY-UHFFFAOYSA-N
MW482.58 g/mol
LogP5.46
Rot. Bonds5

About 2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide

2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 50747295) has the molecular formula C29H30N4O3 and a molecular weight of 482.58 g/mol. Its IUPAC name is 2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID50747295
Molecular FormulaC29H30N4O3
Molecular Weight482.58 g/mol
Exact Mass482.23
IUPAC Name2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
SMILESCC(=O)Nc1ccc(C)cc1-c1nc2ccccc2n(C(C)C(=O)Nc2c(C)cc(C)cc2C)c1=O
InChIInChI=1S/C29H30N4O3/c1-16-11-12-23(30-21(6)34)22(15-16)27-29(36)33(25-10-8-7-9-24(25)31-27)20(5)28(35)32-26-18(3)13-17(2)14-19(26)4/h7-15,20H,1-6H3,(H,30,34)(H,32,35)
InChIKeySMXZUMKYHYQMRY-UHFFFAOYSA-N
XLogP5.46
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.58
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide 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 2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of 2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide (CID 50747295) is 2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for 2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for 2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide is CC(=O)Nc1ccc(C)cc1-c1nc2ccccc2n(C(C)C(=O)Nc2c(C)cc(C)cc2C)c1=O.
What is the InChIKey of 2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is SMXZUMKYHYQMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O3/c1-16-11-12-23(30-21(6)34)22(15-16)27-29(36)33(25-10-8-7-9-24(25)31-27)20(5)28(35)32-26-18(3)13-17(2)14-19(26)4/h7-15,20H,1-6H3,(H,30,34)(H,32,35).
What are the key properties of 2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide?
2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 482.58 g/mol, XLogP of 5.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-acetamido-5-methylphenyl)-2-oxoquinoxalin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 50747295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).