amino-(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-methylazanium;[3-amino-2-(aminomethyl)propyl]-[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-dimethylazanium;bis(2-aminoethyl)-[(3S)-3-amino-4-oxo-4-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]butyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium

C148H202F9N30O10+5 — CID 162078280

About amino-(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-methylazanium;[3-amino-2-(aminomethyl)propyl]-[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-dimethylazanium;bis(2-aminoethyl)-[(3S)-3-amino-4-oxo-4-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]butyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium

amino-(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-methylazanium;[3-amino-2-(aminomethyl)propyl]-[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-dimethylazanium;bis(2-aminoethyl)-[(3S)-3-amino-4-oxo-4-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]butyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium (PubChem CID 162078280) has the molecular formula C148H202F9N30O10+5 and a molecular weight of 2732.43 g/mol. Its IUPAC name is amino-(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-methylazanium;[3-amino-2-(aminomethyl)propyl]-[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-dimethylazanium;bis(2-aminoethyl)-[(3S)-3-amino-4-oxo-4-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]butyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium.

Molecular Properties

• Compound Name: amino-(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-methylazanium;[3-amino-2-(aminomethyl)propyl]-[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-dimethylazanium;bis(2-aminoethyl)-[(3S)-3-amino-4-oxo-4-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]butyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium
• PubChem CID: 162078280
• Molecular Formula: C148H202F9N30O10+5
• Molecular Weight: 2732.43 g/mol
• Exact Mass: 2730.60
• IUPAC Name: amino-(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-methylazanium;[3-amino-2-(aminomethyl)propyl]-[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-dimethylazanium;bis(2-aminoethyl)-[(3S)-3-amino-4-oxo-4-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]butyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium
• SMILES: C[N+](C)(CCC[C@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)Cc1cnc2ccccc2c1)CC(CN)CN.C[N+](CCN)(CCN)CCC[C@H](N)C(=O)N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1cnc2ccccc2c1.C[N+](CCN)(CCN)CCC[C@H](N)C(=O)N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1cnc2ccccc2c1.C[N+](CCN)(CCN)CC[C@H](N)C(=O)N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1cnc2ccccc2c1.C[N+](N)(CCN)CCC[C@H](N)C(=O)N[C@H](CCc1ccccc1)C(=O)Cc1cnc2ccccc2c1
• InChI: InChI=1S/C31H44N6O2.2C30H39F3N6O2.C29H37F3N6O2.C28H38N6O2/c1-37(2,22-25(19-32)20-33)16-8-12-27(34)31(39)36-29(15-14-23-9-4-3-5-10-23)30(38)18-24-17-26-11-6-7-13-28(26)35-21-24;2*1-39(15-12-34,16-13-35)14-4-6-25(36)29(41)38-27(18-21-8-10-24(11-9-21)30(31,32)33)28(40)19-22-17-23-5-2-3-7-26(23)37-20-22;1-38(14-11-33,15-12-34)13-10-24(35)28(40)37-26(17-20-6-8-23(9-7-20)29(30,31)32)27(39)18-21-16-22-4-2-3-5-25(22)36-19-21;1-34(31,17-15-29)16-7-11-24(30)28(36)33-26(14-13-21-8-3-2-4-9-21)27(35)19-22-18-23-10-5-6-12-25(23)32-20-22/h3-7,9-11,13,17,21,25,27,29H,8,12,14-16,18-20,22,32-34H2,1-2H3;2*2-3,5,7-11,17,20,25,27H,4,6,12-16,18-19,34-36H2,1H3;2-9,16,19,24,26H,10-15,17-18,33-35H2,1H3;2-6,8-10,12,18,20,24,26H,7,11,13-17,19,29-31H2,1H3/p+5/t27-,29-;25-,27+;25-,27-;24-,26+;24-,26+,34?/m00000/s1
• InChIKey: ZBZOKKLIWUHJLZ-YVWFASEUSA-S
• XLogP: 11.33
• TPSA: 685.60 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 30
• Rotatable Bonds: 74
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2732.43
LogP ≤ 5	11.33
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of amino-(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-methylazanium;[3-amino-2-(aminomethyl)propyl]-[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-dimethylazanium;bis(2-aminoethyl)-[(3S)-3-amino-4-oxo-4-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]butyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium?

The IUPAC name of amino-(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-methylazanium;[3-amino-2-(aminomethyl)propyl]-[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-dimethylazanium;bis(2-aminoethyl)-[(3S)-3-amino-4-oxo-4-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]butyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium (CID 162078280) is amino-(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-methylazanium;[3-amino-2-(aminomethyl)propyl]-[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-dimethylazanium;bis(2-aminoethyl)-[(3S)-3-amino-4-oxo-4-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]butyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium.

What is the SMILES notation for amino-(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-methylazanium;[3-amino-2-(aminomethyl)propyl]-[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-dimethylazanium;bis(2-aminoethyl)-[(3S)-3-amino-4-oxo-4-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]butyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium?

The canonical SMILES for amino-(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-methylazanium;[3-amino-2-(aminomethyl)propyl]-[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-dimethylazanium;bis(2-aminoethyl)-[(3S)-3-amino-4-oxo-4-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]butyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium is C[N+](C)(CCC[C@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)Cc1cnc2ccccc2c1)CC(CN)CN.C[N+](CCN)(CCN)CCC[C@H](N)C(=O)N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1cnc2ccccc2c1.C[N+](CCN)(CCN)CCC[C@H](N)C(=O)N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1cnc2ccccc2c1.C[N+](CCN)(CCN)CC[C@H](N)C(=O)N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1cnc2ccccc2c1.C[N+](N)(CCN)CCC[C@H](N)C(=O)N[C@H](CCc1ccccc1)C(=O)Cc1cnc2ccccc2c1.

What is the InChIKey of amino-(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-methylazanium;[3-amino-2-(aminomethyl)propyl]-[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-dimethylazanium;bis(2-aminoethyl)-[(3S)-3-amino-4-oxo-4-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]butyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium?

The InChIKey is ZBZOKKLIWUHJLZ-YVWFASEUSA-S. The full InChI is InChI=1S/C31H44N6O2.2C30H39F3N6O2.C29H37F3N6O2.C28H38N6O2/c1-37(2,22-25(19-32)20-33)16-8-12-27(34)31(39)36-29(15-14-23-9-4-3-5-10-23)30(38)18-24-17-26-11-6-7-13-28(26)35-21-24;2*1-39(15-12-34,16-13-35)14-4-6-25(36)29(41)38-27(18-21-8-10-24(11-9-21)30(31,32)33)28(40)19-22-17-23-5-2-3-7-26(23)37-20-22;1-38(14-11-33,15-12-34)13-10-24(35)28(40)37-26(17-20-6-8-23(9-7-20)29(30,31)32)27(39)18-21-16-22-4-2-3-5-25(22)36-19-21;1-34(31,17-15-29)16-7-11-24(30)28(36)33-26(14-13-21-8-3-2-4-9-21)27(35)19-22-18-23-10-5-6-12-25(23)32-20-22/h3-7,9-11,13,17,21,25,27,29H,8,12,14-16,18-20,22,32-34H2,1-2H3;2*2-3,5,7-11,17,20,25,27H,4,6,12-16,18-19,34-36H2,1H3;2-9,16,19,24,26H,10-15,17-18,33-35H2,1H3;2-6,8-10,12,18,20,24,26H,7,11,13-17,19,29-31H2,1H3/p+5/t27-,29-;25-,27+;25-,27-;24-,26+;24-,26+,34?/m00000/s1.

What are the key properties of amino-(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-methylazanium;[3-amino-2-(aminomethyl)propyl]-[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-dimethylazanium;bis(2-aminoethyl)-[(3S)-3-amino-4-oxo-4-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]butyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium?

amino-(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-methylazanium;[3-amino-2-(aminomethyl)propyl]-[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-dimethylazanium;bis(2-aminoethyl)-[(3S)-3-amino-4-oxo-4-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]butyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium has a molecular weight of 2732.43 g/mol, XLogP of 11.33, 74 rotatable bonds, 20 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for amino-(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-methylazanium;[3-amino-2-(aminomethyl)propyl]-[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-dimethylazanium;bis(2-aminoethyl)-[(3S)-3-amino-4-oxo-4-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]butyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium is sourced from PubChem (CID 162078280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).