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

C100H110N16O4 — CID 160794315

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

N-[8-amino-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-amino-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-cyclohexylacetamide;N-[8-amino-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide;N-[8-amino-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide (PubChem CID 160794315) has the molecular formula C100H110N16O4 and a molecular weight of 1600.09 g/mol. Its IUPAC name is N-[8-amino-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-amino-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-cyclohexylacetamide;N-[8-amino-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide;N-[8-amino-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide.

Molecular Properties

• Compound Name: N-[8-amino-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-amino-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-cyclohexylacetamide;N-[8-amino-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide;N-[8-amino-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide
• PubChem CID: 160794315
• Molecular Formula: C100H110N16O4
• Molecular Weight: 1600.09 g/mol
• Exact Mass: 1598.89
• IUPAC Name: N-[8-amino-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-amino-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-cyclohexylacetamide;N-[8-amino-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide;N-[8-amino-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide
• SMILES: CC(=O)Nc1nc2c(nc1CCc1ccccc1)-c1ccc(N)cc1CC2.CC(C)CC(=O)Nc1nc2c(nc1CCc1ccccc1)-c1ccc(N)cc1CC2.CCC(C)C(=O)Nc1nc2c(nc1CCc1ccccc1)-c1ccc(N)cc1CC2.Nc1ccc2c(c1)CCc1nc(NC(=O)CC3CCCCC3)c(CCc3ccccc3)nc1-2
• InChI: InChI=1S/C28H32N4O.2C25H28N4O.C22H22N4O/c29-22-13-14-23-21(18-22)12-16-24-27(23)30-25(15-11-19-7-3-1-4-8-19)28(31-24)32-26(33)17-20-9-5-2-6-10-20;1-16(2)14-23(30)29-25-22(12-8-17-6-4-3-5-7-17)27-24-20-11-10-19(26)15-18(20)9-13-21(24)28-25;1-3-16(2)25(30)29-24-22(13-9-17-7-5-4-6-8-17)27-23-20-12-11-19(26)15-18(20)10-14-21(23)28-24;1-14(27)24-22-20(11-7-15-5-3-2-4-6-15)25-21-18-10-9-17(23)13-16(18)8-12-19(21)26-22/h1,3-4,7-8,13-14,18,20H,2,5-6,9-12,15-17,29H2,(H,31,32,33);3-7,10-11,15-16H,8-9,12-14,26H2,1-2H3,(H,28,29,30);4-8,11-12,15-16H,3,9-10,13-14,26H2,1-2H3,(H,28,29,30);2-6,9-10,13H,7-8,11-12,23H2,1H3,(H,24,26,27)
• InChIKey: SCFSTZKYKHCSAH-UHFFFAOYSA-N
• XLogP: 18.27
• TPSA: 323.60 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 16
• Rotatable Bonds: 22
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1600.09
LogP ≤ 5	18.27
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[8-amino-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-amino-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-cyclohexylacetamide;N-[8-amino-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide;N-[8-amino-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide (CID 160794315) is N-[8-amino-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-amino-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-cyclohexylacetamide;N-[8-amino-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide;N-[8-amino-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide.

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

The canonical SMILES for N-[8-amino-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-amino-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-cyclohexylacetamide;N-[8-amino-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide;N-[8-amino-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide is CC(=O)Nc1nc2c(nc1CCc1ccccc1)-c1ccc(N)cc1CC2.CC(C)CC(=O)Nc1nc2c(nc1CCc1ccccc1)-c1ccc(N)cc1CC2.CCC(C)C(=O)Nc1nc2c(nc1CCc1ccccc1)-c1ccc(N)cc1CC2.Nc1ccc2c(c1)CCc1nc(NC(=O)CC3CCCCC3)c(CCc3ccccc3)nc1-2.

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

The InChIKey is SCFSTZKYKHCSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O.2C25H28N4O.C22H22N4O/c29-22-13-14-23-21(18-22)12-16-24-27(23)30-25(15-11-19-7-3-1-4-8-19)28(31-24)32-26(33)17-20-9-5-2-6-10-20;1-16(2)14-23(30)29-25-22(12-8-17-6-4-3-5-7-17)27-24-20-11-10-19(26)15-18(20)9-13-21(24)28-25;1-3-16(2)25(30)29-24-22(13-9-17-7-5-4-6-8-17)27-23-20-12-11-19(26)15-18(20)10-14-21(23)28-24;1-14(27)24-22-20(11-7-15-5-3-2-4-6-15)25-21-18-10-9-17(23)13-16(18)8-12-19(21)26-22/h1,3-4,7-8,13-14,18,20H,2,5-6,9-12,15-17,29H2,(H,31,32,33);3-7,10-11,15-16H,8-9,12-14,26H2,1-2H3,(H,28,29,30);4-8,11-12,15-16H,3,9-10,13-14,26H2,1-2H3,(H,28,29,30);2-6,9-10,13H,7-8,11-12,23H2,1H3,(H,24,26,27).

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

N-[8-amino-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-amino-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-cyclohexylacetamide;N-[8-amino-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide;N-[8-amino-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide has a molecular weight of 1600.09 g/mol, XLogP of 18.27, 22 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[8-amino-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide;N-[8-amino-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-cyclohexylacetamide;N-[8-amino-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-methylbutanamide;N-[8-amino-2-(2-phenylethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide is sourced from PubChem (CID 160794315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).