(2S)-N-[(4R)-1-acetyl-6-benzyl-3,4-dihydro-2H-quinolin-4-yl]-3-(4-acetyl-2,6-dimethylphenyl)-2-aminopropanamide;(2S)-N-[(4R)-1-acetyl-6-benzyl-8-hydroxy-3,4-dihydro-2H-quinolin-4-yl]-2-amino-3-(2,4,6-trimethylphenyl)propanamide;(2S)-N-[(4R)-1-acetyl-6-benzyl-8-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-amino-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-7-benzyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(3S,4R)-6-benzyl-3-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(3R,4R)-6-benzyl-3-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-(6-benzylquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(7R)-2-benzyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-b]pyridin-7-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-6-benzyl-1,2,3,4-tetrahydro-1,8-naphthyridin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-3-benzyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(5R)-3-phenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-g]quinolin-5-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-6-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide

C342H400N42O17 — CID 159202328

About (2S)-N-[(4R)-1-acetyl-6-benzyl-3,4-dihydro-2H-quinolin-4-yl]-3-(4-acetyl-2,6-dimethylphenyl)-2-aminopropanamide;(2S)-N-[(4R)-1-acetyl-6-benzyl-8-hydroxy-3,4-dihydro-2H-quinolin-4-yl]-2-amino-3-(2,4,6-trimethylphenyl)propanamide;(2S)-N-[(4R)-1-acetyl-6-benzyl-8-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-amino-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-7-benzyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(3S,4R)-6-benzyl-3-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(3R,4R)-6-benzyl-3-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-(6-benzylquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(7R)-2-benzyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-b]pyridin-7-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-6-benzyl-1,2,3,4-tetrahydro-1,8-naphthyridin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-3-benzyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(5R)-3-phenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-g]quinolin-5-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-6-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide

(2S)-N-[(4R)-1-acetyl-6-benzyl-3,4-dihydro-2H-quinolin-4-yl]-3-(4-acetyl-2,6-dimethylphenyl)-2-aminopropanamide;(2S)-N-[(4R)-1-acetyl-6-benzyl-8-hydroxy-3,4-dihydro-2H-quinolin-4-yl]-2-amino-3-(2,4,6-trimethylphenyl)propanamide;(2S)-N-[(4R)-1-acetyl-6-benzyl-8-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-amino-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-7-benzyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(3S,4R)-6-benzyl-3-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(3R,4R)-6-benzyl-3-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-(6-benzylquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(7R)-2-benzyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-b]pyridin-7-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-6-benzyl-1,2,3,4-tetrahydro-1,8-naphthyridin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-3-benzyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(5R)-3-phenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-g]quinolin-5-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-6-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide (PubChem CID 159202328) has the molecular formula C342H400N42O17 and a molecular weight of 5371.24 g/mol. Its IUPAC name is (2S)-N-[(4R)-1-acetyl-6-benzyl-3,4-dihydro-2H-quinolin-4-yl]-3-(4-acetyl-2,6-dimethylphenyl)-2-aminopropanamide;(2S)-N-[(4R)-1-acetyl-6-benzyl-8-hydroxy-3,4-dihydro-2H-quinolin-4-yl]-2-amino-3-(2,4,6-trimethylphenyl)propanamide;(2S)-N-[(4R)-1-acetyl-6-benzyl-8-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-amino-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-7-benzyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(3S,4R)-6-benzyl-3-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(3R,4R)-6-benzyl-3-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-(6-benzylquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(7R)-2-benzyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-b]pyridin-7-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-6-benzyl-1,2,3,4-tetrahydro-1,8-naphthyridin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-3-benzyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(5R)-3-phenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-g]quinolin-5-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-6-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

• Compound Name: (2S)-N-[(4R)-1-acetyl-6-benzyl-3,4-dihydro-2H-quinolin-4-yl]-3-(4-acetyl-2,6-dimethylphenyl)-2-aminopropanamide;(2S)-N-[(4R)-1-acetyl-6-benzyl-8-hydroxy-3,4-dihydro-2H-quinolin-4-yl]-2-amino-3-(2,4,6-trimethylphenyl)propanamide;(2S)-N-[(4R)-1-acetyl-6-benzyl-8-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-amino-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-7-benzyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(3S,4R)-6-benzyl-3-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(3R,4R)-6-benzyl-3-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-(6-benzylquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(7R)-2-benzyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-b]pyridin-7-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-6-benzyl-1,2,3,4-tetrahydro-1,8-naphthyridin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-3-benzyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(5R)-3-phenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-g]quinolin-5-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-6-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide
• PubChem CID: 159202328
• Molecular Formula: C342H400N42O17
• Molecular Weight: 5371.24 g/mol
• Exact Mass: 5367.17
• IUPAC Name: (2S)-N-[(4R)-1-acetyl-6-benzyl-3,4-dihydro-2H-quinolin-4-yl]-3-(4-acetyl-2,6-dimethylphenyl)-2-aminopropanamide;(2S)-N-[(4R)-1-acetyl-6-benzyl-8-hydroxy-3,4-dihydro-2H-quinolin-4-yl]-2-amino-3-(2,4,6-trimethylphenyl)propanamide;(2S)-N-[(4R)-1-acetyl-6-benzyl-8-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-amino-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-7-benzyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(3S,4R)-6-benzyl-3-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(3R,4R)-6-benzyl-3-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-(6-benzylquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(7R)-2-benzyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-b]pyridin-7-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-6-benzyl-1,2,3,4-tetrahydro-1,8-naphthyridin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-3-benzyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(5R)-3-phenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-g]quinolin-5-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-6-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide
• SMILES: CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(C)cc2C)c2cc(Cc3ccccc3)cc(C)c21.CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(C)cc2C)c2cc(Cc3ccccc3)cc(O)c21.CC(=O)c1cc(C)c(C[C@H](N)C(=O)N[C@@H]2CCN(C(C)=O)c3ccc(Cc4ccccc4)cc32)c(C)c1.Cc1cc(C)c(C[C@H](N)C(=O)N[C@@H]2CCN3CCCc4cc(Cc5ccccc5)cc2c43)c(C)c1.Cc1cc(C)c(C[C@H](N)C(=O)N[C@@H]2CCNc3cc4[nH]cc(-c5ccccc5)c4cc32)c(C)c1.Cc1cc(C)c(C[C@H](N)C(=O)N[C@@H]2CCNc3ccc(-c4ccccc4)cc32)c(C)c1.Cc1cc(C)c(C[C@H](N)C(=O)N[C@@H]2CCNc3n[nH]c(Cc4ccccc4)c32)c(C)c1.Cc1cc(C)c(C[C@H](N)C(=O)N[C@@H]2CCNc3nc(Cc4ccccc4)[nH]c32)c(C)c1.Cc1cc(C)c(C[C@H](N)C(=O)N[C@@H]2CCNc3ncc(Cc4ccccc4)cc32)c(C)c1.Cc1cc(C)c(C[C@H](N)C(=O)N[C@H]2c3cc(Cc4ccccc4)ccc3NC[C@@H]2C)c(C)c1.Cc1cc(C)c(C[C@H](N)C(=O)N[C@H]2c3cc(Cc4ccccc4)ccc3NC[C@H]2C)c(C)c1.Cc1cc(C)c(C[C@H](N)C(=O)Nc2ccnc3ccc(Cc4ccccc4)cc23)c(C)c1
• InChI: InChI=1S/C31H35N3O3.C31H37N3O2.C31H37N3O.C30H35N3O3.C29H32N4O.2C29H35N3O.C28H29N3O.C27H32N4O.C27H31N3O.2C25H31N5O/c1-19-14-25(21(3)35)15-20(2)26(19)18-28(32)31(37)33-29-12-13-34(22(4)36)30-11-10-24(17-27(29)30)16-23-8-6-5-7-9-23;1-19-13-20(2)26(21(3)14-19)18-28(32)31(36)33-29-11-12-34(23(5)35)30-22(4)15-25(17-27(29)30)16-24-9-7-6-8-10-24;1-20-14-21(2)26(22(3)15-20)19-28(32)31(35)33-29-11-13-34-12-7-10-25-17-24(18-27(29)30(25)34)16-23-8-5-4-6-9-23;1-18-12-19(2)24(20(3)13-18)17-26(31)30(36)32-27-10-11-33(21(4)34)29-25(27)15-23(16-28(29)35)14-22-8-6-5-7-9-22;1-17-11-18(2)21(19(3)12-17)14-25(30)29(34)33-26-9-10-31-28-15-27-22(13-23(26)28)24(16-32-27)20-7-5-4-6-8-20;2*1-18-12-19(2)24(20(3)13-18)16-26(30)29(33)32-28-21(4)17-31-27-11-10-23(15-25(27)28)14-22-8-6-5-7-9-22;1-18-13-19(2)23(20(3)14-18)17-25(29)28(32)31-27-11-12-30-26-10-9-22(16-24(26)27)15-21-7-5-4-6-8-21;1-17-11-18(2)22(19(3)12-17)15-24(28)27(32)31-25-9-10-29-26-23(25)14-21(16-30-26)13-20-7-5-4-6-8-20;1-17-13-18(2)22(19(3)14-17)16-24(28)27(31)30-26-11-12-29-25-10-9-21(15-23(25)26)20-7-5-4-6-8-20;1-15-11-16(2)19(17(3)12-15)14-20(26)25(31)28-21-9-10-27-24-23(21)29-22(30-24)13-18-7-5-4-6-8-18;1-15-11-16(2)19(17(3)12-15)14-20(26)25(31)28-21-9-10-27-24-23(21)22(29-30-24)13-18-7-5-4-6-8-18/h5-11,14-15,17,28-29H,12-13,16,18,32H2,1-4H3,(H,33,37);6-10,13-15,17,28-29H,11-12,16,18,32H2,1-5H3,(H,33,36);4-6,8-9,14-15,17-18,28-29H,7,10-13,16,19,32H2,1-3H3,(H,33,35);5-9,12-13,15-16,26-27,35H,10-11,14,17,31H2,1-4H3,(H,32,36);4-8,11-13,15-16,25-26,31-32H,9-10,14,30H2,1-3H3,(H,33,34);2*5-13,15,21,26,28,31H,14,16-17,30H2,1-4H3,(H,32,33);4-14,16,25H,15,17,29H2,1-3H3,(H,30,31,32);4-8,11-12,14,16,24-25H,9-10,13,15,28H2,1-3H3,(H,29,30)(H,31,32);4-10,13-15,24,26,29H,11-12,16,28H2,1-3H3,(H,30,31);4-8,11-12,20-21,27H,9-10,13-14,26H2,1-3H3,(H,28,31)(H,29,30);4-8,11-12,20-21H,9-10,13-14,26H2,1-3H3,(H,28,31)(H2,27,29,30)/t3*28-,29+;26-,27+;25-,26+;21-,26+,28-;21-,26-,28+;25-;24-,25+;24-,26+;2*20-,21+/m000001000000/s1
• InChIKey: KPLGLKSZQYZCRU-BCKOTUOASA-N
• XLogP: 55.50
• TPSA: 946.05 Ų
• H-Bond Donors: 35
• H-Bond Acceptors: 41
• Rotatable Bonds: 71
• Heavy Atoms: 401
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5371.24
LogP ≤ 5	55.50
H-Bond Donors ≤ 5	35
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4R)-1-acetyl-6-benzyl-3,4-dihydro-2H-quinolin-4-yl]-3-(4-acetyl-2,6-dimethylphenyl)-2-aminopropanamide;(2S)-N-[(4R)-1-acetyl-6-benzyl-8-hydroxy-3,4-dihydro-2H-quinolin-4-yl]-2-amino-3-(2,4,6-trimethylphenyl)propanamide;(2S)-N-[(4R)-1-acetyl-6-benzyl-8-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-amino-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-7-benzyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(3S,4R)-6-benzyl-3-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(3R,4R)-6-benzyl-3-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-(6-benzylquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(7R)-2-benzyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-b]pyridin-7-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-6-benzyl-1,2,3,4-tetrahydro-1,8-naphthyridin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-3-benzyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(5R)-3-phenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-g]quinolin-5-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-6-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide?

The IUPAC name of (2S)-N-[(4R)-1-acetyl-6-benzyl-3,4-dihydro-2H-quinolin-4-yl]-3-(4-acetyl-2,6-dimethylphenyl)-2-aminopropanamide;(2S)-N-[(4R)-1-acetyl-6-benzyl-8-hydroxy-3,4-dihydro-2H-quinolin-4-yl]-2-amino-3-(2,4,6-trimethylphenyl)propanamide;(2S)-N-[(4R)-1-acetyl-6-benzyl-8-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-amino-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-7-benzyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(3S,4R)-6-benzyl-3-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(3R,4R)-6-benzyl-3-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-(6-benzylquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(7R)-2-benzyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-b]pyridin-7-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-6-benzyl-1,2,3,4-tetrahydro-1,8-naphthyridin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-3-benzyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(5R)-3-phenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-g]quinolin-5-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-6-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide (CID 159202328) is (2S)-N-[(4R)-1-acetyl-6-benzyl-3,4-dihydro-2H-quinolin-4-yl]-3-(4-acetyl-2,6-dimethylphenyl)-2-aminopropanamide;(2S)-N-[(4R)-1-acetyl-6-benzyl-8-hydroxy-3,4-dihydro-2H-quinolin-4-yl]-2-amino-3-(2,4,6-trimethylphenyl)propanamide;(2S)-N-[(4R)-1-acetyl-6-benzyl-8-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-amino-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-7-benzyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(3S,4R)-6-benzyl-3-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(3R,4R)-6-benzyl-3-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-(6-benzylquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(7R)-2-benzyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-b]pyridin-7-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-6-benzyl-1,2,3,4-tetrahydro-1,8-naphthyridin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-3-benzyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(5R)-3-phenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-g]quinolin-5-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-6-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide.

What is the SMILES notation for (2S)-N-[(4R)-1-acetyl-6-benzyl-3,4-dihydro-2H-quinolin-4-yl]-3-(4-acetyl-2,6-dimethylphenyl)-2-aminopropanamide;(2S)-N-[(4R)-1-acetyl-6-benzyl-8-hydroxy-3,4-dihydro-2H-quinolin-4-yl]-2-amino-3-(2,4,6-trimethylphenyl)propanamide;(2S)-N-[(4R)-1-acetyl-6-benzyl-8-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-amino-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-7-benzyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(3S,4R)-6-benzyl-3-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(3R,4R)-6-benzyl-3-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-(6-benzylquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(7R)-2-benzyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-b]pyridin-7-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-6-benzyl-1,2,3,4-tetrahydro-1,8-naphthyridin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-3-benzyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(5R)-3-phenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-g]quinolin-5-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-6-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide?

The canonical SMILES for (2S)-N-[(4R)-1-acetyl-6-benzyl-3,4-dihydro-2H-quinolin-4-yl]-3-(4-acetyl-2,6-dimethylphenyl)-2-aminopropanamide;(2S)-N-[(4R)-1-acetyl-6-benzyl-8-hydroxy-3,4-dihydro-2H-quinolin-4-yl]-2-amino-3-(2,4,6-trimethylphenyl)propanamide;(2S)-N-[(4R)-1-acetyl-6-benzyl-8-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-amino-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-7-benzyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(3S,4R)-6-benzyl-3-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(3R,4R)-6-benzyl-3-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-(6-benzylquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(7R)-2-benzyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-b]pyridin-7-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-6-benzyl-1,2,3,4-tetrahydro-1,8-naphthyridin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-3-benzyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(5R)-3-phenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-g]quinolin-5-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-6-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide is CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(C)cc2C)c2cc(Cc3ccccc3)cc(C)c21.CC(=O)N1CC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(C)cc2C)c2cc(Cc3ccccc3)cc(O)c21.CC(=O)c1cc(C)c(C[C@H](N)C(=O)N[C@@H]2CCN(C(C)=O)c3ccc(Cc4ccccc4)cc32)c(C)c1.Cc1cc(C)c(C[C@H](N)C(=O)N[C@@H]2CCN3CCCc4cc(Cc5ccccc5)cc2c43)c(C)c1.Cc1cc(C)c(C[C@H](N)C(=O)N[C@@H]2CCNc3cc4[nH]cc(-c5ccccc5)c4cc32)c(C)c1.Cc1cc(C)c(C[C@H](N)C(=O)N[C@@H]2CCNc3ccc(-c4ccccc4)cc32)c(C)c1.Cc1cc(C)c(C[C@H](N)C(=O)N[C@@H]2CCNc3n[nH]c(Cc4ccccc4)c32)c(C)c1.Cc1cc(C)c(C[C@H](N)C(=O)N[C@@H]2CCNc3nc(Cc4ccccc4)[nH]c32)c(C)c1.Cc1cc(C)c(C[C@H](N)C(=O)N[C@@H]2CCNc3ncc(Cc4ccccc4)cc32)c(C)c1.Cc1cc(C)c(C[C@H](N)C(=O)N[C@H]2c3cc(Cc4ccccc4)ccc3NC[C@@H]2C)c(C)c1.Cc1cc(C)c(C[C@H](N)C(=O)N[C@H]2c3cc(Cc4ccccc4)ccc3NC[C@H]2C)c(C)c1.Cc1cc(C)c(C[C@H](N)C(=O)Nc2ccnc3ccc(Cc4ccccc4)cc23)c(C)c1.

What is the InChIKey of (2S)-N-[(4R)-1-acetyl-6-benzyl-3,4-dihydro-2H-quinolin-4-yl]-3-(4-acetyl-2,6-dimethylphenyl)-2-aminopropanamide;(2S)-N-[(4R)-1-acetyl-6-benzyl-8-hydroxy-3,4-dihydro-2H-quinolin-4-yl]-2-amino-3-(2,4,6-trimethylphenyl)propanamide;(2S)-N-[(4R)-1-acetyl-6-benzyl-8-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-amino-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-7-benzyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(3S,4R)-6-benzyl-3-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(3R,4R)-6-benzyl-3-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-(6-benzylquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(7R)-2-benzyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-b]pyridin-7-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-6-benzyl-1,2,3,4-tetrahydro-1,8-naphthyridin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-3-benzyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(5R)-3-phenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-g]quinolin-5-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-6-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide?

The InChIKey is KPLGLKSZQYZCRU-BCKOTUOASA-N. The full InChI is InChI=1S/C31H35N3O3.C31H37N3O2.C31H37N3O.C30H35N3O3.C29H32N4O.2C29H35N3O.C28H29N3O.C27H32N4O.C27H31N3O.2C25H31N5O/c1-19-14-25(21(3)35)15-20(2)26(19)18-28(32)31(37)33-29-12-13-34(22(4)36)30-11-10-24(17-27(29)30)16-23-8-6-5-7-9-23;1-19-13-20(2)26(21(3)14-19)18-28(32)31(36)33-29-11-12-34(23(5)35)30-22(4)15-25(17-27(29)30)16-24-9-7-6-8-10-24;1-20-14-21(2)26(22(3)15-20)19-28(32)31(35)33-29-11-13-34-12-7-10-25-17-24(18-27(29)30(25)34)16-23-8-5-4-6-9-23;1-18-12-19(2)24(20(3)13-18)17-26(31)30(36)32-27-10-11-33(21(4)34)29-25(27)15-23(16-28(29)35)14-22-8-6-5-7-9-22;1-17-11-18(2)21(19(3)12-17)14-25(30)29(34)33-26-9-10-31-28-15-27-22(13-23(26)28)24(16-32-27)20-7-5-4-6-8-20;2*1-18-12-19(2)24(20(3)13-18)16-26(30)29(33)32-28-21(4)17-31-27-11-10-23(15-25(27)28)14-22-8-6-5-7-9-22;1-18-13-19(2)23(20(3)14-18)17-25(29)28(32)31-27-11-12-30-26-10-9-22(16-24(26)27)15-21-7-5-4-6-8-21;1-17-11-18(2)22(19(3)12-17)15-24(28)27(32)31-25-9-10-29-26-23(25)14-21(16-30-26)13-20-7-5-4-6-8-20;1-17-13-18(2)22(19(3)14-17)16-24(28)27(31)30-26-11-12-29-25-10-9-21(15-23(25)26)20-7-5-4-6-8-20;1-15-11-16(2)19(17(3)12-15)14-20(26)25(31)28-21-9-10-27-24-23(21)29-22(30-24)13-18-7-5-4-6-8-18;1-15-11-16(2)19(17(3)12-15)14-20(26)25(31)28-21-9-10-27-24-23(21)22(29-30-24)13-18-7-5-4-6-8-18/h5-11,14-15,17,28-29H,12-13,16,18,32H2,1-4H3,(H,33,37);6-10,13-15,17,28-29H,11-12,16,18,32H2,1-5H3,(H,33,36);4-6,8-9,14-15,17-18,28-29H,7,10-13,16,19,32H2,1-3H3,(H,33,35);5-9,12-13,15-16,26-27,35H,10-11,14,17,31H2,1-4H3,(H,32,36);4-8,11-13,15-16,25-26,31-32H,9-10,14,30H2,1-3H3,(H,33,34);2*5-13,15,21,26,28,31H,14,16-17,30H2,1-4H3,(H,32,33);4-14,16,25H,15,17,29H2,1-3H3,(H,30,31,32);4-8,11-12,14,16,24-25H,9-10,13,15,28H2,1-3H3,(H,29,30)(H,31,32);4-10,13-15,24,26,29H,11-12,16,28H2,1-3H3,(H,30,31);4-8,11-12,20-21,27H,9-10,13-14,26H2,1-3H3,(H,28,31)(H,29,30);4-8,11-12,20-21H,9-10,13-14,26H2,1-3H3,(H,28,31)(H2,27,29,30)/t3*28-,29+;26-,27+;25-,26+;21-,26+,28-;21-,26-,28+;25-;24-,25+;24-,26+;2*20-,21+/m000001000000/s1.

What are the key properties of (2S)-N-[(4R)-1-acetyl-6-benzyl-3,4-dihydro-2H-quinolin-4-yl]-3-(4-acetyl-2,6-dimethylphenyl)-2-aminopropanamide;(2S)-N-[(4R)-1-acetyl-6-benzyl-8-hydroxy-3,4-dihydro-2H-quinolin-4-yl]-2-amino-3-(2,4,6-trimethylphenyl)propanamide;(2S)-N-[(4R)-1-acetyl-6-benzyl-8-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-amino-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-7-benzyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(3S,4R)-6-benzyl-3-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(3R,4R)-6-benzyl-3-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-(6-benzylquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(7R)-2-benzyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-b]pyridin-7-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-6-benzyl-1,2,3,4-tetrahydro-1,8-naphthyridin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-3-benzyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(5R)-3-phenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-g]quinolin-5-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-6-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide?

(2S)-N-[(4R)-1-acetyl-6-benzyl-3,4-dihydro-2H-quinolin-4-yl]-3-(4-acetyl-2,6-dimethylphenyl)-2-aminopropanamide;(2S)-N-[(4R)-1-acetyl-6-benzyl-8-hydroxy-3,4-dihydro-2H-quinolin-4-yl]-2-amino-3-(2,4,6-trimethylphenyl)propanamide;(2S)-N-[(4R)-1-acetyl-6-benzyl-8-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-amino-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-7-benzyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(3S,4R)-6-benzyl-3-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(3R,4R)-6-benzyl-3-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-(6-benzylquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(7R)-2-benzyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-b]pyridin-7-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-6-benzyl-1,2,3,4-tetrahydro-1,8-naphthyridin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-3-benzyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(5R)-3-phenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-g]quinolin-5-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-6-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 5371.24 g/mol, XLogP of 55.50, 71 rotatable bonds, 35 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[(4R)-1-acetyl-6-benzyl-3,4-dihydro-2H-quinolin-4-yl]-3-(4-acetyl-2,6-dimethylphenyl)-2-aminopropanamide;(2S)-N-[(4R)-1-acetyl-6-benzyl-8-hydroxy-3,4-dihydro-2H-quinolin-4-yl]-2-amino-3-(2,4,6-trimethylphenyl)propanamide;(2S)-N-[(4R)-1-acetyl-6-benzyl-8-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-amino-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-7-benzyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(3S,4R)-6-benzyl-3-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(3R,4R)-6-benzyl-3-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-(6-benzylquinolin-4-yl)-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(7R)-2-benzyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-b]pyridin-7-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-6-benzyl-1,2,3,4-tetrahydro-1,8-naphthyridin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-3-benzyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(5R)-3-phenyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-g]quinolin-5-yl]-3-(2,4,6-trimethylphenyl)propanamide;(2S)-2-amino-N-[(4R)-6-phenyl-1,2,3,4-tetrahydroquinolin-4-yl]-3-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 159202328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).