3-[4-[1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylimidazo[1,5-a]quinoxalin-8-yl]-2-methylphenoxy]-N,N-dimethylpropan-1-amine

C29H37N5O2 — CID 167646470

About 3-[4-[1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylimidazo[1,5-a]quinoxalin-8-yl]-2-methylphenoxy]-N,N-dimethylpropan-1-amine

3-[4-[1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylimidazo[1,5-a]quinoxalin-8-yl]-2-methylphenoxy]-N,N-dimethylpropan-1-amine (PubChem CID 167646470) has the molecular formula C29H37N5O2 and a molecular weight of 487.65 g/mol. Its IUPAC name is 3-[4-[1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylimidazo[1,5-a]quinoxalin-8-yl]-2-methylphenoxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

• Compound Name: 3-[4-[1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylimidazo[1,5-a]quinoxalin-8-yl]-2-methylphenoxy]-N,N-dimethylpropan-1-amine
• PubChem CID: 167646470
• Molecular Formula: C29H37N5O2
• Molecular Weight: 487.65 g/mol
• Exact Mass: 487.29
• IUPAC Name: 3-[4-[1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylimidazo[1,5-a]quinoxalin-8-yl]-2-methylphenoxy]-N,N-dimethylpropan-1-amine
• SMILES: Cc1cc(-c2ccc3ncc4c(C)nc(N5C[C@@H](C)O[C@@H](C)C5)n4c3c2)ccc1OCCCN(C)C
• InChI: InChI=1S/C29H37N5O2/c1-19-14-23(9-11-28(19)35-13-7-12-32(5)6)24-8-10-25-26(15-24)34-27(16-30-25)22(4)31-29(34)33-17-20(2)36-21(3)18-33/h8-11,14-16,20-21H,7,12-13,17-18H2,1-6H3/t20-,21+
• InChIKey: PYCIOUZDHZXXNS-OYRHEFFESA-N
• XLogP: 5.11
• TPSA: 55.13 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.65
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylimidazo[1,5-a]quinoxalin-8-yl]-2-methylphenoxy]-N,N-dimethylpropan-1-amine?

The IUPAC name of 3-[4-[1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylimidazo[1,5-a]quinoxalin-8-yl]-2-methylphenoxy]-N,N-dimethylpropan-1-amine (CID 167646470) is 3-[4-[1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylimidazo[1,5-a]quinoxalin-8-yl]-2-methylphenoxy]-N,N-dimethylpropan-1-amine.

What is the SMILES notation for 3-[4-[1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylimidazo[1,5-a]quinoxalin-8-yl]-2-methylphenoxy]-N,N-dimethylpropan-1-amine?

The canonical SMILES for 3-[4-[1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylimidazo[1,5-a]quinoxalin-8-yl]-2-methylphenoxy]-N,N-dimethylpropan-1-amine is Cc1cc(-c2ccc3ncc4c(C)nc(N5C[C@@H](C)O[C@@H](C)C5)n4c3c2)ccc1OCCCN(C)C.

What is the InChIKey of 3-[4-[1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylimidazo[1,5-a]quinoxalin-8-yl]-2-methylphenoxy]-N,N-dimethylpropan-1-amine?

The InChIKey is PYCIOUZDHZXXNS-OYRHEFFESA-N. The full InChI is InChI=1S/C29H37N5O2/c1-19-14-23(9-11-28(19)35-13-7-12-32(5)6)24-8-10-25-26(15-24)34-27(16-30-25)22(4)31-29(34)33-17-20(2)36-21(3)18-33/h8-11,14-16,20-21H,7,12-13,17-18H2,1-6H3/t20-,21+.

What are the key properties of 3-[4-[1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylimidazo[1,5-a]quinoxalin-8-yl]-2-methylphenoxy]-N,N-dimethylpropan-1-amine?

3-[4-[1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylimidazo[1,5-a]quinoxalin-8-yl]-2-methylphenoxy]-N,N-dimethylpropan-1-amine has a molecular weight of 487.65 g/mol, XLogP of 5.11, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylimidazo[1,5-a]quinoxalin-8-yl]-2-methylphenoxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 167646470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).