N-[cyclohexyl(pyridin-3-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N,N-diethyl-2-[4-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-pyridin-3-ylmethyl]piperidin-1-yl]acetamide

C₆₃H₆₈N₁₂O — CID 158436803

About N-[cyclohexyl(pyridin-3-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N,N-diethyl-2-[4-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-pyridin-3-ylmethyl]piperidin-1-yl]acetamide

N-[cyclohexyl(pyridin-3-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N,N-diethyl-2-[4-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-pyridin-3-ylmethyl]piperidin-1-yl]acetamide (PubChem CID 158436803) has the molecular formula C₆₃H₆₈N₁₂O and a molecular weight of 1009.32 g/mol. Its IUPAC name is N-[cyclohexyl(pyridin-3-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N,N-diethyl-2-[4-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-pyridin-3-ylmethyl]piperidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[cyclohexyl(pyridin-3-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N,N-diethyl-2-[4-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-pyridin-3-ylmethyl]piperidin-1-yl]acetamide
• PubChem CID: 158436803
• Molecular Formula: C₆₃H₆₈N₁₂O
• Molecular Weight: 1009.32 g/mol
• Exact Mass: 1008.56
• IUPAC Name: N-[cyclohexyl(pyridin-3-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N,N-diethyl-2-[4-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-pyridin-3-ylmethyl]piperidin-1-yl]acetamide
• SMILES: CCN(CC)C(=O)CN1CCC(C(Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2cccnc2)CC1.Cn1ccc2ccc(-c3cc(NC(c4cccnc4)C4CCCCC4)cc4nccnc34)cc21
• InChI: InChI=1S/C34H39N7O.C29H29N5/c1-4-41(5-2)32(42)23-40-17-11-25(12-18-40)33(27-7-6-13-35-22-27)38-28-20-29(34-30(21-28)36-14-15-37-34)26-9-8-24-10-16-39(3)31(24)19-26;1-34-15-11-20-9-10-22(16-27(20)34)25-17-24(18-26-29(25)32-14-13-31-26)33-28(21-6-3-2-4-7-21)23-8-5-12-30-19-23/h6-10,13-16,19-22,25,33,38H,4-5,11-12,17-18,23H2,1-3H3;5,8-19,21,28,33H,2-4,6-7H2,1H3
• InChIKey: HCIDDZCLPRTKIS-UHFFFAOYSA-N
• XLogP: 12.83
• TPSA: 134.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1009.32
LogP ≤ 5	12.83
H-Bond Donors ≤ 5	2
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 N-[cyclohexyl(pyridin-3-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N,N-diethyl-2-[4-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-pyridin-3-ylmethyl]piperidin-1-yl]acetamide?

The IUPAC name of N-[cyclohexyl(pyridin-3-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N,N-diethyl-2-[4-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-pyridin-3-ylmethyl]piperidin-1-yl]acetamide (CID 158436803) is N-[cyclohexyl(pyridin-3-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N,N-diethyl-2-[4-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-pyridin-3-ylmethyl]piperidin-1-yl]acetamide.

What is the SMILES notation for N-[cyclohexyl(pyridin-3-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N,N-diethyl-2-[4-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-pyridin-3-ylmethyl]piperidin-1-yl]acetamide?

The canonical SMILES for N-[cyclohexyl(pyridin-3-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N,N-diethyl-2-[4-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-pyridin-3-ylmethyl]piperidin-1-yl]acetamide is CCN(CC)C(=O)CN1CCC(C(Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2cccnc2)CC1.Cn1ccc2ccc(-c3cc(NC(c4cccnc4)C4CCCCC4)cc4nccnc34)cc21.

What is the InChIKey of N-[cyclohexyl(pyridin-3-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N,N-diethyl-2-[4-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-pyridin-3-ylmethyl]piperidin-1-yl]acetamide?

The InChIKey is HCIDDZCLPRTKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39N7O.C29H29N5/c1-4-41(5-2)32(42)23-40-17-11-25(12-18-40)33(27-7-6-13-35-22-27)38-28-20-29(34-30(21-28)36-14-15-37-34)26-9-8-24-10-16-39(3)31(24)19-26;1-34-15-11-20-9-10-22(16-27(20)34)25-17-24(18-26-29(25)32-14-13-31-26)33-28(21-6-3-2-4-7-21)23-8-5-12-30-19-23/h6-10,13-16,19-22,25,33,38H,4-5,11-12,17-18,23H2,1-3H3;5,8-19,21,28,33H,2-4,6-7H2,1H3.

What are the key properties of N-[cyclohexyl(pyridin-3-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N,N-diethyl-2-[4-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-pyridin-3-ylmethyl]piperidin-1-yl]acetamide?

N-[cyclohexyl(pyridin-3-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N,N-diethyl-2-[4-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-pyridin-3-ylmethyl]piperidin-1-yl]acetamide has a molecular weight of 1009.32 g/mol, XLogP of 12.83, 14 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[cyclohexyl(pyridin-3-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N,N-diethyl-2-[4-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-pyridin-3-ylmethyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 158436803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158436803 — identifiers, structure, computed properties (public domain)

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