2-amino-N-(6-benzyl-8-bromo-1,2,3,4-tetrahydroquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide;2-amino-N-(6-benzyl-8-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide;2-amino-N-[6-benzyl-8-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;2-amino-N-[6-benzyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;4-[[2-amino-3-(2,4,6-trimethylphenyl)propanoyl]amino]-6-benzyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid;methane

C150H181BrF3N17O7 — CID 161479808

About 2-amino-N-(6-benzyl-8-bromo-1,2,3,4-tetrahydroquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide;2-amino-N-(6-benzyl-8-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide;2-amino-N-[6-benzyl-8-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;2-amino-N-[6-benzyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;4-[[2-amino-3-(2,4,6-trimethylphenyl)propanoyl]amino]-6-benzyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid;methane

2-amino-N-(6-benzyl-8-bromo-1,2,3,4-tetrahydroquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide;2-amino-N-(6-benzyl-8-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide;2-amino-N-[6-benzyl-8-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;2-amino-N-[6-benzyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;4-[[2-amino-3-(2,4,6-trimethylphenyl)propanoyl]amino]-6-benzyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid;methane (PubChem CID 161479808) has the molecular formula C150H181BrF3N17O7 and a molecular weight of 2471.11 g/mol. Its IUPAC name is 2-amino-N-(6-benzyl-8-bromo-1,2,3,4-tetrahydroquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide;2-amino-N-(6-benzyl-8-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide;2-amino-N-[6-benzyl-8-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;2-amino-N-[6-benzyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;4-[[2-amino-3-(2,4,6-trimethylphenyl)propanoyl]amino]-6-benzyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid;methane.

Molecular Properties

• Compound Name: 2-amino-N-(6-benzyl-8-bromo-1,2,3,4-tetrahydroquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide;2-amino-N-(6-benzyl-8-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide;2-amino-N-[6-benzyl-8-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;2-amino-N-[6-benzyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;4-[[2-amino-3-(2,4,6-trimethylphenyl)propanoyl]amino]-6-benzyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid;methane
• PubChem CID: 161479808
• Molecular Formula: C150H181BrF3N17O7
• Molecular Weight: 2471.11 g/mol
• Exact Mass: 2468.35
• IUPAC Name: 2-amino-N-(6-benzyl-8-bromo-1,2,3,4-tetrahydroquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide;2-amino-N-(6-benzyl-8-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide;2-amino-N-[6-benzyl-8-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;2-amino-N-[6-benzyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;4-[[2-amino-3-(2,4,6-trimethylphenyl)propanoyl]amino]-6-benzyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid;methane
• SMILES: C.CCc1cc(Cc2ccccc2)cc2c1NCCC2NC(=O)C(N)Cc1c(C)cc(C)cc1C.Cc1cc(C)c(CC(N)C(=O)NC2CCNc3c(Br)cc(Cc4ccccc4)cc32)c(C)c1.Cc1cc(C)c(CC(N)C(=O)NC2CCNc3c(C(=O)O)cc(Cc4ccccc4)cc32)c(C)c1.Cc1cc(C)c(CC(N)C(=O)NC2CCNc3c(CN4CCNCC4)cc(Cc4ccccc4)cc32)c(C)c1.Cc1cc(C)c(CC(N)C(=O)NC2CCNc3c2cc(Cc2ccccc2)cc3C(F)(F)F)c(C)c1
• InChI: InChI=1S/C33H43N5O.C30H37N3O.C29H32F3N3O.C29H33N3O3.C28H32BrN3O.CH4/c1-22-15-23(2)28(24(3)16-22)20-30(34)33(39)37-31-9-10-36-32-27(21-38-13-11-35-12-14-38)18-26(19-29(31)32)17-25-7-5-4-6-8-25;1-5-24-16-23(15-22-9-7-6-8-10-22)17-26-28(11-12-32-29(24)26)33-30(34)27(31)18-25-20(3)13-19(2)14-21(25)4;1-17-11-18(2)22(19(3)12-17)16-25(33)28(36)35-26-9-10-34-27-23(26)14-21(15-24(27)29(30,31)32)13-20-7-5-4-6-8-20;1-17-11-18(2)22(19(3)12-17)16-25(30)28(33)32-26-9-10-31-27-23(26)14-21(15-24(27)29(34)35)13-20-7-5-4-6-8-20;1-17-11-18(2)22(19(3)12-17)16-25(30)28(33)32-26-9-10-31-27-23(26)14-21(15-24(27)29)13-20-7-5-4-6-8-20;/h4-8,15-16,18-19,30-31,35-36H,9-14,17,20-21,34H2,1-3H3,(H,37,39);6-10,13-14,16-17,27-28,32H,5,11-12,15,18,31H2,1-4H3,(H,33,34);4-8,11-12,14-15,25-26,34H,9-10,13,16,33H2,1-3H3,(H,35,36);4-8,11-12,14-15,25-26,31H,9-10,13,16,30H2,1-3H3,(H,32,33)(H,34,35);4-8,11-12,14-15,25-26,31H,9-10,13,16,30H2,1-3H3,(H,32,33);1H4
• InChIKey: WEFBJVPZSAOZKK-UHFFFAOYSA-N
• XLogP: 25.81
• TPSA: 388.32 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 18
• Rotatable Bonds: 34
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2471.11
LogP ≤ 5	25.81
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(6-benzyl-8-bromo-1,2,3,4-tetrahydroquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide;2-amino-N-(6-benzyl-8-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide;2-amino-N-[6-benzyl-8-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;2-amino-N-[6-benzyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;4-[[2-amino-3-(2,4,6-trimethylphenyl)propanoyl]amino]-6-benzyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid;methane?

The IUPAC name of 2-amino-N-(6-benzyl-8-bromo-1,2,3,4-tetrahydroquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide;2-amino-N-(6-benzyl-8-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide;2-amino-N-[6-benzyl-8-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;2-amino-N-[6-benzyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;4-[[2-amino-3-(2,4,6-trimethylphenyl)propanoyl]amino]-6-benzyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid;methane (CID 161479808) is 2-amino-N-(6-benzyl-8-bromo-1,2,3,4-tetrahydroquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide;2-amino-N-(6-benzyl-8-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide;2-amino-N-[6-benzyl-8-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;2-amino-N-[6-benzyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;4-[[2-amino-3-(2,4,6-trimethylphenyl)propanoyl]amino]-6-benzyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid;methane.

What is the SMILES notation for 2-amino-N-(6-benzyl-8-bromo-1,2,3,4-tetrahydroquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide;2-amino-N-(6-benzyl-8-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide;2-amino-N-[6-benzyl-8-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;2-amino-N-[6-benzyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;4-[[2-amino-3-(2,4,6-trimethylphenyl)propanoyl]amino]-6-benzyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid;methane?

The canonical SMILES for 2-amino-N-(6-benzyl-8-bromo-1,2,3,4-tetrahydroquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide;2-amino-N-(6-benzyl-8-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide;2-amino-N-[6-benzyl-8-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;2-amino-N-[6-benzyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;4-[[2-amino-3-(2,4,6-trimethylphenyl)propanoyl]amino]-6-benzyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid;methane is C.CCc1cc(Cc2ccccc2)cc2c1NCCC2NC(=O)C(N)Cc1c(C)cc(C)cc1C.Cc1cc(C)c(CC(N)C(=O)NC2CCNc3c(Br)cc(Cc4ccccc4)cc32)c(C)c1.Cc1cc(C)c(CC(N)C(=O)NC2CCNc3c(C(=O)O)cc(Cc4ccccc4)cc32)c(C)c1.Cc1cc(C)c(CC(N)C(=O)NC2CCNc3c(CN4CCNCC4)cc(Cc4ccccc4)cc32)c(C)c1.Cc1cc(C)c(CC(N)C(=O)NC2CCNc3c2cc(Cc2ccccc2)cc3C(F)(F)F)c(C)c1.

What is the InChIKey of 2-amino-N-(6-benzyl-8-bromo-1,2,3,4-tetrahydroquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide;2-amino-N-(6-benzyl-8-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide;2-amino-N-[6-benzyl-8-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;2-amino-N-[6-benzyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;4-[[2-amino-3-(2,4,6-trimethylphenyl)propanoyl]amino]-6-benzyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid;methane?

The InChIKey is WEFBJVPZSAOZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43N5O.C30H37N3O.C29H32F3N3O.C29H33N3O3.C28H32BrN3O.CH4/c1-22-15-23(2)28(24(3)16-22)20-30(34)33(39)37-31-9-10-36-32-27(21-38-13-11-35-12-14-38)18-26(19-29(31)32)17-25-7-5-4-6-8-25;1-5-24-16-23(15-22-9-7-6-8-10-22)17-26-28(11-12-32-29(24)26)33-30(34)27(31)18-25-20(3)13-19(2)14-21(25)4;1-17-11-18(2)22(19(3)12-17)16-25(33)28(36)35-26-9-10-34-27-23(26)14-21(15-24(27)29(30,31)32)13-20-7-5-4-6-8-20;1-17-11-18(2)22(19(3)12-17)16-25(30)28(33)32-26-9-10-31-27-23(26)14-21(15-24(27)29(34)35)13-20-7-5-4-6-8-20;1-17-11-18(2)22(19(3)12-17)16-25(30)28(33)32-26-9-10-31-27-23(26)14-21(15-24(27)29)13-20-7-5-4-6-8-20;/h4-8,15-16,18-19,30-31,35-36H,9-14,17,20-21,34H2,1-3H3,(H,37,39);6-10,13-14,16-17,27-28,32H,5,11-12,15,18,31H2,1-4H3,(H,33,34);4-8,11-12,14-15,25-26,34H,9-10,13,16,33H2,1-3H3,(H,35,36);4-8,11-12,14-15,25-26,31H,9-10,13,16,30H2,1-3H3,(H,32,33)(H,34,35);4-8,11-12,14-15,25-26,31H,9-10,13,16,30H2,1-3H3,(H,32,33);1H4.

What are the key properties of 2-amino-N-(6-benzyl-8-bromo-1,2,3,4-tetrahydroquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide;2-amino-N-(6-benzyl-8-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide;2-amino-N-[6-benzyl-8-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;2-amino-N-[6-benzyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;4-[[2-amino-3-(2,4,6-trimethylphenyl)propanoyl]amino]-6-benzyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid;methane?

2-amino-N-(6-benzyl-8-bromo-1,2,3,4-tetrahydroquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide;2-amino-N-(6-benzyl-8-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide;2-amino-N-[6-benzyl-8-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;2-amino-N-[6-benzyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;4-[[2-amino-3-(2,4,6-trimethylphenyl)propanoyl]amino]-6-benzyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid;methane has a molecular weight of 2471.11 g/mol, XLogP of 25.81, 34 rotatable bonds, 17 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-(6-benzyl-8-bromo-1,2,3,4-tetrahydroquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide;2-amino-N-(6-benzyl-8-ethyl-1,2,3,4-tetrahydroquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide;2-amino-N-[6-benzyl-8-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;2-amino-N-[6-benzyl-8-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;4-[[2-amino-3-(2,4,6-trimethylphenyl)propanoyl]amino]-6-benzyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid;methane is sourced from PubChem (CID 161479808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).