N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(3-phenylpropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide

C30H31N3O3 — CID 46273213

About N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(3-phenylpropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide

N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(3-phenylpropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 46273213) has the molecular formula C30H31N3O3 and a molecular weight of 481.60 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(3-phenylpropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(3-phenylpropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide
• PubChem CID: 46273213
• Molecular Formula: C30H31N3O3
• Molecular Weight: 481.60 g/mol
• Exact Mass: 481.24
• IUPAC Name: N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(3-phenylpropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide
• SMILES: COc1ccccc1CNC(=O)C1(C)Cn2c(cc3ccccc32)C(=O)N1CCCc1ccccc1
• InChI: InChI=1S/C30H31N3O3/c1-30(29(35)31-20-24-15-7-9-17-27(24)36-2)21-32-25-16-8-6-14-23(25)19-26(32)28(34)33(30)18-10-13-22-11-4-3-5-12-22/h3-9,11-12,14-17,19H,10,13,18,20-21H2,1-2H3,(H,31,35)
• InChIKey: OXMQZSQXEZDHAY-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 63.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.60
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(3-phenylpropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide?

The IUPAC name of N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(3-phenylpropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 46273213) is N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(3-phenylpropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide.

What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(3-phenylpropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide?

The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(3-phenylpropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide is COc1ccccc1CNC(=O)C1(C)Cn2c(cc3ccccc32)C(=O)N1CCCc1ccccc1.

What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(3-phenylpropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide?

The InChIKey is OXMQZSQXEZDHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O3/c1-30(29(35)31-20-24-15-7-9-17-27(24)36-2)21-32-25-16-8-6-14-23(25)19-26(32)28(34)33(30)18-10-13-22-11-4-3-5-12-22/h3-9,11-12,14-17,19H,10,13,18,20-21H2,1-2H3,(H,31,35).

What are the key properties of N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(3-phenylpropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide?

N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(3-phenylpropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 481.60 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-2-(3-phenylpropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 46273213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).