N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide

C27H35N5O2 — CID 50768130

About N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide

N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide (PubChem CID 50768130) has the molecular formula C27H35N5O2 and a molecular weight of 461.61 g/mol. Its IUPAC name is N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide.

Molecular Properties

• Compound Name: N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide
• PubChem CID: 50768130
• Molecular Formula: C27H35N5O2
• Molecular Weight: 461.61 g/mol
• Exact Mass: 461.28
• IUPAC Name: N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide
• SMILES: Cc1cc2nc(C)c(=O)n(CC(=O)NCCN3CCN(c4cccc(C)c4C)CC3)c2cc1C
• InChI: InChI=1S/C27H35N5O2/c1-18-7-6-8-24(21(18)4)31-13-11-30(12-14-31)10-9-28-26(33)17-32-25-16-20(3)19(2)15-23(25)29-22(5)27(32)34/h6-8,15-16H,9-14,17H2,1-5H3,(H,28,33)
• InChIKey: LVXKFHKAKMUEFN-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 70.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.61
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide?

The IUPAC name of N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide (CID 50768130) is N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide.

What is the SMILES notation for N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide?

The canonical SMILES for N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide is Cc1cc2nc(C)c(=O)n(CC(=O)NCCN3CCN(c4cccc(C)c4C)CC3)c2cc1C.

What is the InChIKey of N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide?

The InChIKey is LVXKFHKAKMUEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O2/c1-18-7-6-8-24(21(18)4)31-13-11-30(12-14-31)10-9-28-26(33)17-32-25-16-20(3)19(2)15-23(25)29-22(5)27(32)34/h6-8,15-16H,9-14,17H2,1-5H3,(H,28,33).

What are the key properties of N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide?

N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide has a molecular weight of 461.61 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide is sourced from PubChem (CID 50768130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).