8-(3-methyl-1-benzofuran-5-yl)-N-[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethyl]quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-piperidin-4-ylquinoxalin-6-amine

C50H47N11O — CID 157180284

About 8-(3-methyl-1-benzofuran-5-yl)-N-[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethyl]quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-piperidin-4-ylquinoxalin-6-amine

8-(3-methyl-1-benzofuran-5-yl)-N-[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethyl]quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-piperidin-4-ylquinoxalin-6-amine (PubChem CID 157180284) has the molecular formula C50H47N11O and a molecular weight of 818.00 g/mol. Its IUPAC name is 8-(3-methyl-1-benzofuran-5-yl)-N-[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethyl]quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-piperidin-4-ylquinoxalin-6-amine.

Molecular Properties

• Compound Name: 8-(3-methyl-1-benzofuran-5-yl)-N-[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethyl]quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-piperidin-4-ylquinoxalin-6-amine
• PubChem CID: 157180284
• Molecular Formula: C50H47N11O
• Molecular Weight: 818.00 g/mol
• Exact Mass: 817.40
• IUPAC Name: 8-(3-methyl-1-benzofuran-5-yl)-N-[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethyl]quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-piperidin-4-ylquinoxalin-6-amine
• SMILES: Cc1coc2ccc(-c3cc(NC(C)c4cncc(-c5cnn(C)c5)c4)cc4nccnc34)cc12.Cn1ccc2ccc(-c3cc(NC4CCNCC4)cc4nccnc34)cc21
• InChI: InChI=1S/C28H24N6O.C22H23N5/c1-17-16-35-27-5-4-19(9-24(17)27)25-10-23(11-26-28(25)31-7-6-30-26)33-18(2)20-8-21(13-29-12-20)22-14-32-34(3)15-22;1-27-11-6-15-2-3-16(12-21(15)27)19-13-18(26-17-4-7-23-8-5-17)14-20-22(19)25-10-9-24-20/h4-16,18,33H,1-3H3;2-3,6,9-14,17,23,26H,4-5,7-8H2,1H3
• InChIKey: AOMMCYPVKBVZOS-UHFFFAOYSA-N
• XLogP: 10.27
• TPSA: 136.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	818.00
LogP ≤ 5	10.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-(3-methyl-1-benzofuran-5-yl)-N-[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethyl]quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-piperidin-4-ylquinoxalin-6-amine?

The IUPAC name of 8-(3-methyl-1-benzofuran-5-yl)-N-[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethyl]quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-piperidin-4-ylquinoxalin-6-amine (CID 157180284) is 8-(3-methyl-1-benzofuran-5-yl)-N-[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethyl]quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-piperidin-4-ylquinoxalin-6-amine.

What is the SMILES notation for 8-(3-methyl-1-benzofuran-5-yl)-N-[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethyl]quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-piperidin-4-ylquinoxalin-6-amine?

The canonical SMILES for 8-(3-methyl-1-benzofuran-5-yl)-N-[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethyl]quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-piperidin-4-ylquinoxalin-6-amine is Cc1coc2ccc(-c3cc(NC(C)c4cncc(-c5cnn(C)c5)c4)cc4nccnc34)cc12.Cn1ccc2ccc(-c3cc(NC4CCNCC4)cc4nccnc34)cc21.

What is the InChIKey of 8-(3-methyl-1-benzofuran-5-yl)-N-[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethyl]quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-piperidin-4-ylquinoxalin-6-amine?

The InChIKey is AOMMCYPVKBVZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O.C22H23N5/c1-17-16-35-27-5-4-19(9-24(17)27)25-10-23(11-26-28(25)31-7-6-30-26)33-18(2)20-8-21(13-29-12-20)22-14-32-34(3)15-22;1-27-11-6-15-2-3-16(12-21(15)27)19-13-18(26-17-4-7-23-8-5-17)14-20-22(19)25-10-9-24-20/h4-16,18,33H,1-3H3;2-3,6,9-14,17,23,26H,4-5,7-8H2,1H3.

What are the key properties of 8-(3-methyl-1-benzofuran-5-yl)-N-[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethyl]quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-piperidin-4-ylquinoxalin-6-amine?

8-(3-methyl-1-benzofuran-5-yl)-N-[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethyl]quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-piperidin-4-ylquinoxalin-6-amine has a molecular weight of 818.00 g/mol, XLogP of 10.27, 8 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(3-methyl-1-benzofuran-5-yl)-N-[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethyl]quinoxalin-6-amine;8-(1-methylindol-6-yl)-N-piperidin-4-ylquinoxalin-6-amine is sourced from PubChem (CID 157180284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).