N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-bromophenyl)acetamide;N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-chlorophenyl)acetamide;N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(3,4-difluorophenyl)acetamide;N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-iodophenyl)acetamide

C124H131BrClF2IN16O4 — CID 159100574

About N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-bromophenyl)acetamide;N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-chlorophenyl)acetamide;N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(3,4-difluorophenyl)acetamide;N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-iodophenyl)acetamide

N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-bromophenyl)acetamide;N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-chlorophenyl)acetamide;N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(3,4-difluorophenyl)acetamide;N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-iodophenyl)acetamide (PubChem CID 159100574) has the molecular formula C124H131BrClF2IN16O4 and a molecular weight of 2189.78 g/mol. Its IUPAC name is N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-bromophenyl)acetamide;N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-chlorophenyl)acetamide;N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(3,4-difluorophenyl)acetamide;N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-iodophenyl)acetamide.

Molecular Properties

• Compound Name: N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-bromophenyl)acetamide;N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-chlorophenyl)acetamide;N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(3,4-difluorophenyl)acetamide;N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-iodophenyl)acetamide
• PubChem CID: 159100574
• Molecular Formula: C124H131BrClF2IN16O4
• Molecular Weight: 2189.78 g/mol
• Exact Mass: 2186.84
• IUPAC Name: N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-bromophenyl)acetamide;N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-chlorophenyl)acetamide;N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(3,4-difluorophenyl)acetamide;N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-iodophenyl)acetamide
• SMILES: Nc1ccc2c(c1)CCc1nc(NC(=O)Cc3ccc(Br)cc3)c(CC34CC5CC(CC(C5)C3)C4)nc1-2.Nc1ccc2c(c1)CCc1nc(NC(=O)Cc3ccc(Cl)cc3)c(CC34CC5CC(CC(C5)C3)C4)nc1-2.Nc1ccc2c(c1)CCc1nc(NC(=O)Cc3ccc(F)c(F)c3)c(CC34CC5CC(CC(C5)C3)C4)nc1-2.Nc1ccc2c(c1)CCc1nc(NC(=O)Cc3ccc(I)cc3)c(CC34CC5CC(CC(C5)C3)C4)nc1-2
• InChI: InChI=1S/C31H33BrN4O.C31H33ClN4O.C31H32F2N4O.C31H33IN4O/c2*32-23-4-1-18(2-5-23)12-28(37)36-30-27(17-31-14-19-9-20(15-31)11-21(10-19)16-31)34-29-25-7-6-24(33)13-22(25)3-8-26(29)35-30;32-24-5-1-17(10-25(24)33)11-28(38)37-30-27(16-31-13-18-7-19(14-31)9-20(8-18)15-31)35-29-23-4-3-22(34)12-21(23)2-6-26(29)36-30;32-23-4-1-18(2-5-23)12-28(37)36-30-27(17-31-14-19-9-20(15-31)11-21(10-19)16-31)34-29-25-7-6-24(33)13-22(25)3-8-26(29)35-30/h2*1-2,4-7,13,19-21H,3,8-12,14-17,33H2,(H,35,36,37);1,3-5,10,12,18-20H,2,6-9,11,13-16,34H2,(H,36,37,38);1-2,4-7,13,19-21H,3,8-12,14-17,33H2,(H,35,36,37)
• InChIKey: KDFLCDSRLNJOMQ-UHFFFAOYSA-N
• XLogP: 25.36
• TPSA: 323.60 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 16
• Rotatable Bonds: 20
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2189.78
LogP ≤ 5	25.36
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-bromophenyl)acetamide;N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-chlorophenyl)acetamide;N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(3,4-difluorophenyl)acetamide;N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-iodophenyl)acetamide?

The IUPAC name of N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-bromophenyl)acetamide;N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-chlorophenyl)acetamide;N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(3,4-difluorophenyl)acetamide;N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-iodophenyl)acetamide (CID 159100574) is N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-bromophenyl)acetamide;N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-chlorophenyl)acetamide;N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(3,4-difluorophenyl)acetamide;N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-iodophenyl)acetamide.

What is the SMILES notation for N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-bromophenyl)acetamide;N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-chlorophenyl)acetamide;N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(3,4-difluorophenyl)acetamide;N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-iodophenyl)acetamide?

The canonical SMILES for N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-bromophenyl)acetamide;N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-chlorophenyl)acetamide;N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(3,4-difluorophenyl)acetamide;N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-iodophenyl)acetamide is Nc1ccc2c(c1)CCc1nc(NC(=O)Cc3ccc(Br)cc3)c(CC34CC5CC(CC(C5)C3)C4)nc1-2.Nc1ccc2c(c1)CCc1nc(NC(=O)Cc3ccc(Cl)cc3)c(CC34CC5CC(CC(C5)C3)C4)nc1-2.Nc1ccc2c(c1)CCc1nc(NC(=O)Cc3ccc(F)c(F)c3)c(CC34CC5CC(CC(C5)C3)C4)nc1-2.Nc1ccc2c(c1)CCc1nc(NC(=O)Cc3ccc(I)cc3)c(CC34CC5CC(CC(C5)C3)C4)nc1-2.

What is the InChIKey of N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-bromophenyl)acetamide;N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-chlorophenyl)acetamide;N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(3,4-difluorophenyl)acetamide;N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-iodophenyl)acetamide?

The InChIKey is KDFLCDSRLNJOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33BrN4O.C31H33ClN4O.C31H32F2N4O.C31H33IN4O/c2*32-23-4-1-18(2-5-23)12-28(37)36-30-27(17-31-14-19-9-20(15-31)11-21(10-19)16-31)34-29-25-7-6-24(33)13-22(25)3-8-26(29)35-30;32-24-5-1-17(10-25(24)33)11-28(38)37-30-27(16-31-13-18-7-19(14-31)9-20(8-18)15-31)35-29-23-4-3-22(34)12-21(23)2-6-26(29)36-30;32-23-4-1-18(2-5-23)12-28(37)36-30-27(17-31-14-19-9-20(15-31)11-21(10-19)16-31)34-29-25-7-6-24(33)13-22(25)3-8-26(29)35-30/h2*1-2,4-7,13,19-21H,3,8-12,14-17,33H2,(H,35,36,37);1,3-5,10,12,18-20H,2,6-9,11,13-16,34H2,(H,36,37,38);1-2,4-7,13,19-21H,3,8-12,14-17,33H2,(H,35,36,37).

What are the key properties of N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-bromophenyl)acetamide;N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-chlorophenyl)acetamide;N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(3,4-difluorophenyl)acetamide;N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-iodophenyl)acetamide?

N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-bromophenyl)acetamide;N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-chlorophenyl)acetamide;N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(3,4-difluorophenyl)acetamide;N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-iodophenyl)acetamide has a molecular weight of 2189.78 g/mol, XLogP of 25.36, 20 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-bromophenyl)acetamide;N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-chlorophenyl)acetamide;N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(3,4-difluorophenyl)acetamide;N-[2-(1-adamantylmethyl)-8-amino-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-iodophenyl)acetamide is sourced from PubChem (CID 159100574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).