2-amino-N-[(2R)-6-methylheptan-2-yl]-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

C23H33N5O — CID 7707899

About 2-amino-N-[(2R)-6-methylheptan-2-yl]-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

2-amino-N-[(2R)-6-methylheptan-2-yl]-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide (PubChem CID 7707899) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is 2-amino-N-[(2R)-6-methylheptan-2-yl]-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-[(2R)-6-methylheptan-2-yl]-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
• PubChem CID: 7707899
• Molecular Formula: C23H33N5O
• Molecular Weight: 395.55 g/mol
• Exact Mass: 395.27
• IUPAC Name: 2-amino-N-[(2R)-6-methylheptan-2-yl]-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
• SMILES: CC(C)CCC[C@@H](C)NC(=O)c1c(N)n(CC(C)C)c2nc3ccccc3nc12
• InChI: InChI=1S/C23H33N5O/c1-14(2)9-8-10-16(5)25-23(29)19-20-22(28(21(19)24)13-15(3)4)27-18-12-7-6-11-17(18)26-20/h6-7,11-12,14-16H,8-10,13,24H2,1-5H3,(H,25,29)/t16-/m1/s1
• InChIKey: ZQYVZRNCQWKYAA-MRXNPFEDSA-N
• XLogP: 4.77
• TPSA: 85.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.55
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2R)-6-methylheptan-2-yl]-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?

The IUPAC name of 2-amino-N-[(2R)-6-methylheptan-2-yl]-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide (CID 7707899) is 2-amino-N-[(2R)-6-methylheptan-2-yl]-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide.

What is the SMILES notation for 2-amino-N-[(2R)-6-methylheptan-2-yl]-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?

The canonical SMILES for 2-amino-N-[(2R)-6-methylheptan-2-yl]-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is CC(C)CCC[C@@H](C)NC(=O)c1c(N)n(CC(C)C)c2nc3ccccc3nc12.

What is the InChIKey of 2-amino-N-[(2R)-6-methylheptan-2-yl]-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?

The InChIKey is ZQYVZRNCQWKYAA-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H33N5O/c1-14(2)9-8-10-16(5)25-23(29)19-20-22(28(21(19)24)13-15(3)4)27-18-12-7-6-11-17(18)26-20/h6-7,11-12,14-16H,8-10,13,24H2,1-5H3,(H,25,29)/t16-/m1/s1.

What are the key properties of 2-amino-N-[(2R)-6-methylheptan-2-yl]-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide?

2-amino-N-[(2R)-6-methylheptan-2-yl]-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide has a molecular weight of 395.55 g/mol, XLogP of 4.77, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[(2R)-6-methylheptan-2-yl]-1-(2-methylpropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide is sourced from PubChem (CID 7707899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).