N-(3,5-dimethoxyphenyl)-N-[[6-(methylamino)-2-pyridinyl]methyl]-3-(1-methylpyrrol-3-yl)quinoxalin-6-amine

C28H28N6O2 — CID 122644171

About N-(3,5-dimethoxyphenyl)-N-[[6-(methylamino)-2-pyridinyl]methyl]-3-(1-methylpyrrol-3-yl)quinoxalin-6-amine

N-(3,5-dimethoxyphenyl)-N-[[6-(methylamino)-2-pyridinyl]methyl]-3-(1-methylpyrrol-3-yl)quinoxalin-6-amine (PubChem CID 122644171) has the molecular formula C28H28N6O2 and a molecular weight of 480.57 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-N-[[6-(methylamino)-2-pyridinyl]methyl]-3-(1-methylpyrrol-3-yl)quinoxalin-6-amine.

Molecular Properties

• Compound Name: N-(3,5-dimethoxyphenyl)-N-[[6-(methylamino)-2-pyridinyl]methyl]-3-(1-methylpyrrol-3-yl)quinoxalin-6-amine
• PubChem CID: 122644171
• Molecular Formula: C28H28N6O2
• Molecular Weight: 480.57 g/mol
• Exact Mass: 480.23
• IUPAC Name: N-(3,5-dimethoxyphenyl)-N-[[6-(methylamino)-2-pyridinyl]methyl]-3-(1-methylpyrrol-3-yl)quinoxalin-6-amine
• SMILES: CNc1cccc(CN(c2cc(OC)cc(OC)c2)c2ccc3ncc(-c4ccn(C)c4)nc3c2)n1
• InChI: InChI=1S/C28H28N6O2/c1-29-28-7-5-6-20(31-28)18-34(22-12-23(35-3)15-24(13-22)36-4)21-8-9-25-26(14-21)32-27(16-30-25)19-10-11-33(2)17-19/h5-17H,18H2,1-4H3,(H,29,31)
• InChIKey: RNQQDHCZQDCTCU-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 77.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.57
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-N-[[6-(methylamino)-2-pyridinyl]methyl]-3-(1-methylpyrrol-3-yl)quinoxalin-6-amine?

The IUPAC name of N-(3,5-dimethoxyphenyl)-N-[[6-(methylamino)-2-pyridinyl]methyl]-3-(1-methylpyrrol-3-yl)quinoxalin-6-amine (CID 122644171) is N-(3,5-dimethoxyphenyl)-N-[[6-(methylamino)-2-pyridinyl]methyl]-3-(1-methylpyrrol-3-yl)quinoxalin-6-amine.

What is the SMILES notation for N-(3,5-dimethoxyphenyl)-N-[[6-(methylamino)-2-pyridinyl]methyl]-3-(1-methylpyrrol-3-yl)quinoxalin-6-amine?

The canonical SMILES for N-(3,5-dimethoxyphenyl)-N-[[6-(methylamino)-2-pyridinyl]methyl]-3-(1-methylpyrrol-3-yl)quinoxalin-6-amine is CNc1cccc(CN(c2cc(OC)cc(OC)c2)c2ccc3ncc(-c4ccn(C)c4)nc3c2)n1.

What is the InChIKey of N-(3,5-dimethoxyphenyl)-N-[[6-(methylamino)-2-pyridinyl]methyl]-3-(1-methylpyrrol-3-yl)quinoxalin-6-amine?

The InChIKey is RNQQDHCZQDCTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O2/c1-29-28-7-5-6-20(31-28)18-34(22-12-23(35-3)15-24(13-22)36-4)21-8-9-25-26(14-21)32-27(16-30-25)19-10-11-33(2)17-19/h5-17H,18H2,1-4H3,(H,29,31).

What are the key properties of N-(3,5-dimethoxyphenyl)-N-[[6-(methylamino)-2-pyridinyl]methyl]-3-(1-methylpyrrol-3-yl)quinoxalin-6-amine?

N-(3,5-dimethoxyphenyl)-N-[[6-(methylamino)-2-pyridinyl]methyl]-3-(1-methylpyrrol-3-yl)quinoxalin-6-amine has a molecular weight of 480.57 g/mol, XLogP of 5.43, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-dimethoxyphenyl)-N-[[6-(methylamino)-2-pyridinyl]methyl]-3-(1-methylpyrrol-3-yl)quinoxalin-6-amine is sourced from PubChem (CID 122644171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).