N-cycloheptyl-6,9-dimethoxy-3-methyl-2-(2-methylhexyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

C29H43N3O4 — CID 71172218

About N-cycloheptyl-6,9-dimethoxy-3-methyl-2-(2-methylhexyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

N-cycloheptyl-6,9-dimethoxy-3-methyl-2-(2-methylhexyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 71172218) has the molecular formula C29H43N3O4 and a molecular weight of 497.68 g/mol. Its IUPAC name is N-cycloheptyl-6,9-dimethoxy-3-methyl-2-(2-methylhexyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

• Compound Name: N-cycloheptyl-6,9-dimethoxy-3-methyl-2-(2-methylhexyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
• PubChem CID: 71172218
• Molecular Formula: C29H43N3O4
• Molecular Weight: 497.68 g/mol
• Exact Mass: 497.33
• IUPAC Name: N-cycloheptyl-6,9-dimethoxy-3-methyl-2-(2-methylhexyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
• SMILES: CCCCC(C)CN1C(=O)c2cc3c(OC)ccc(OC)c3n2CC1(C)C(=O)NC1CCCCCC1
• InChI: InChI=1S/C29H43N3O4/c1-6-7-12-20(2)18-32-27(33)23-17-22-24(35-4)15-16-25(36-5)26(22)31(23)19-29(32,3)28(34)30-21-13-10-8-9-11-14-21/h15-17,20-21H,6-14,18-19H2,1-5H3,(H,30,34)
• InChIKey: VRTSPMIHKUCUDM-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 72.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.68
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-6,9-dimethoxy-3-methyl-2-(2-methylhexyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?

The IUPAC name of N-cycloheptyl-6,9-dimethoxy-3-methyl-2-(2-methylhexyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 71172218) is N-cycloheptyl-6,9-dimethoxy-3-methyl-2-(2-methylhexyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.

What is the SMILES notation for N-cycloheptyl-6,9-dimethoxy-3-methyl-2-(2-methylhexyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?

The canonical SMILES for N-cycloheptyl-6,9-dimethoxy-3-methyl-2-(2-methylhexyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is CCCCC(C)CN1C(=O)c2cc3c(OC)ccc(OC)c3n2CC1(C)C(=O)NC1CCCCCC1.

What is the InChIKey of N-cycloheptyl-6,9-dimethoxy-3-methyl-2-(2-methylhexyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?

The InChIKey is VRTSPMIHKUCUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43N3O4/c1-6-7-12-20(2)18-32-27(33)23-17-22-24(35-4)15-16-25(36-5)26(22)31(23)19-29(32,3)28(34)30-21-13-10-8-9-11-14-21/h15-17,20-21H,6-14,18-19H2,1-5H3,(H,30,34).

What are the key properties of N-cycloheptyl-6,9-dimethoxy-3-methyl-2-(2-methylhexyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?

N-cycloheptyl-6,9-dimethoxy-3-methyl-2-(2-methylhexyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 497.68 g/mol, XLogP of 5.54, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cycloheptyl-6,9-dimethoxy-3-methyl-2-(2-methylhexyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 71172218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).