N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-cyclohexylacetamide;N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide;N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide

C112H138N12O8 — CID 159776307

About N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-cyclohexylacetamide;N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide;N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide

N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-cyclohexylacetamide;N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide;N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide (PubChem CID 159776307) has the molecular formula C112H138N12O8 and a molecular weight of 1780.41 g/mol. Its IUPAC name is N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-cyclohexylacetamide;N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide;N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide.

Molecular Properties

• Compound Name: N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-cyclohexylacetamide;N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide;N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide
• PubChem CID: 159776307
• Molecular Formula: C112H138N12O8
• Molecular Weight: 1780.41 g/mol
• Exact Mass: 1779.08
• IUPAC Name: N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-cyclohexylacetamide;N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide;N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide
• SMILES: CC(=O)Nc1nc2c(nc1CC13CC4CC(CC(C4)C1)C3)-c1ccc(O)cc1CC2.CC(C)CC(=O)Nc1nc2c(nc1CC13CC4CC(CC(C4)C1)C3)-c1ccc(O)cc1CC2.CCC(C)C(=O)Nc1nc2c(nc1CC13CC4CC(CC(C4)C1)C3)-c1ccc(O)cc1CC2.O=C(CC1CCCCC1)Nc1nc2c(nc1CC13CC4CC(CC(C4)C1)C3)-c1ccc(O)cc1CC2
• InChI: InChI=1S/C31H39N3O2.2C28H35N3O2.C25H29N3O2/c35-24-7-8-25-23(14-24)6-9-26-29(25)32-27(18-31-15-20-10-21(16-31)12-22(11-20)17-31)30(33-26)34-28(36)13-19-4-2-1-3-5-19;1-16(2)7-25(33)31-27-24(15-28-12-17-8-18(13-28)10-19(9-17)14-28)29-26-22-5-4-21(32)11-20(22)3-6-23(26)30-27;1-3-16(2)27(33)31-26-24(15-28-12-17-8-18(13-28)10-19(9-17)14-28)29-25-22-6-5-21(32)11-20(22)4-7-23(25)30-26;1-14(29)26-24-22(13-25-10-15-6-16(11-25)8-17(7-15)12-25)27-23-20-4-3-19(30)9-18(20)2-5-21(23)28-24/h7-8,14,19-22,35H,1-6,9-13,15-18H2,(H,33,34,36);4-5,11,16-19,32H,3,6-10,12-15H2,1-2H3,(H,30,31,33);5-6,11,16-19,32H,3-4,7-10,12-15H2,1-2H3,(H,30,31,33);3-4,9,15-17,30H,2,5-8,10-13H2,1H3,(H,26,28,29)
• InChIKey: NGTZWDVOJQPRBX-UHFFFAOYSA-N
• XLogP: 22.66
• TPSA: 300.44 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 16
• Rotatable Bonds: 18
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1780.41
LogP ≤ 5	22.66
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-cyclohexylacetamide;N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide;N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide?

The IUPAC name of N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-cyclohexylacetamide;N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide;N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide (CID 159776307) is N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-cyclohexylacetamide;N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide;N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide.

What is the SMILES notation for N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-cyclohexylacetamide;N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide;N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide?

The canonical SMILES for N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-cyclohexylacetamide;N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide;N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide is CC(=O)Nc1nc2c(nc1CC13CC4CC(CC(C4)C1)C3)-c1ccc(O)cc1CC2.CC(C)CC(=O)Nc1nc2c(nc1CC13CC4CC(CC(C4)C1)C3)-c1ccc(O)cc1CC2.CCC(C)C(=O)Nc1nc2c(nc1CC13CC4CC(CC(C4)C1)C3)-c1ccc(O)cc1CC2.O=C(CC1CCCCC1)Nc1nc2c(nc1CC13CC4CC(CC(C4)C1)C3)-c1ccc(O)cc1CC2.

What is the InChIKey of N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-cyclohexylacetamide;N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide;N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide?

The InChIKey is NGTZWDVOJQPRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N3O2.2C28H35N3O2.C25H29N3O2/c35-24-7-8-25-23(14-24)6-9-26-29(25)32-27(18-31-15-20-10-21(16-31)12-22(11-20)17-31)30(33-26)34-28(36)13-19-4-2-1-3-5-19;1-16(2)7-25(33)31-27-24(15-28-12-17-8-18(13-28)10-19(9-17)14-28)29-26-22-5-4-21(32)11-20(22)3-6-23(26)30-27;1-3-16(2)27(33)31-26-24(15-28-12-17-8-18(13-28)10-19(9-17)14-28)29-25-22-6-5-21(32)11-20(22)4-7-23(25)30-26;1-14(29)26-24-22(13-25-10-15-6-16(11-25)8-17(7-15)12-25)27-23-20-4-3-19(30)9-18(20)2-5-21(23)28-24/h7-8,14,19-22,35H,1-6,9-13,15-18H2,(H,33,34,36);4-5,11,16-19,32H,3,6-10,12-15H2,1-2H3,(H,30,31,33);5-6,11,16-19,32H,3-4,7-10,12-15H2,1-2H3,(H,30,31,33);3-4,9,15-17,30H,2,5-8,10-13H2,1H3,(H,26,28,29).

What are the key properties of N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-cyclohexylacetamide;N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide;N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide?

N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-cyclohexylacetamide;N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide;N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide has a molecular weight of 1780.41 g/mol, XLogP of 22.66, 18 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-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-cyclohexylacetamide;N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide;N-[2-(1-adamantylmethyl)-8-hydroxy-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide is sourced from PubChem (CID 159776307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).