(2R,5S)-5-amino-N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-5-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoate

C94H135N23O19 — CID 157422517

About (2R,5S)-5-amino-N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-5-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoate

(2R,5S)-5-amino-N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-5-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoate (PubChem CID 157422517) has the molecular formula C94H135N23O19 and a molecular weight of 1891.26 g/mol. Its IUPAC name is (2R,5S)-5-amino-N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-5-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoate.

Molecular Properties

• Compound Name: (2R,5S)-5-amino-N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-5-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoate
• PubChem CID: 157422517
• Molecular Formula: C94H135N23O19
• Molecular Weight: 1891.26 g/mol
• Exact Mass: 1890.03
• IUPAC Name: (2R,5S)-5-amino-N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-5-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoate
• SMILES: CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CNC(=O)[C@H](CCCNC(N)=O)CC(=O)[C@@H](N)C(C)C)cc1.CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CNC(=O)[C@H](CCCNC(N)=O)CC(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCN=[N+]=[N-])C(C)C)cc1.[N-]=[N+]=NCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C45H65N11O8.C34H46N8O3.C15H24N4O8/c1-4-5-12-38-53-41-42(35-10-6-7-11-36(35)52-43(41)46)56(38)30-33-15-13-32(14-16-33)29-50-44(59)34(9-8-18-49-45(47)60)28-37(57)40(31(2)3)54-39(58)17-20-61-22-24-63-26-27-64-25-23-62-21-19-51-55-48;1-4-5-12-28-41-30-31(25-10-6-7-11-26(25)40-32(30)36)42(28)20-23-15-13-22(14-16-23)19-39-33(44)24(9-8-17-38-34(37)45)18-27(43)29(35)21(2)3;16-18-17-4-6-24-8-10-26-12-11-25-9-7-23-5-3-15(22)27-19-13(20)1-2-14(19)21/h6-7,10-11,13-16,31,34,40H,4-5,8-9,12,17-30H2,1-3H3,(H2,46,52)(H,50,59)(H,54,58)(H3,47,49,60);6-7,10-11,13-16,21,24,29H,4-5,8-9,12,17-20,35H2,1-3H3,(H2,36,40)(H,39,44)(H3,37,38,45);1-12H2/t34-,40+;24-,29+;/m11./s1
• InChIKey: BPOORAJSJBMHMP-ZRNQWBFTSA-N
• XLogP: 9.65
• TPSA: 606.20 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 64
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1891.26
LogP ≤ 5	9.65
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-amino-N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-5-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoate?

The IUPAC name of (2R,5S)-5-amino-N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-5-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoate (CID 157422517) is (2R,5S)-5-amino-N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-5-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoate.

What is the SMILES notation for (2R,5S)-5-amino-N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-5-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoate?

The canonical SMILES for (2R,5S)-5-amino-N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-5-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoate is CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CNC(=O)[C@H](CCCNC(N)=O)CC(=O)[C@@H](N)C(C)C)cc1.CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CNC(=O)[C@H](CCCNC(N)=O)CC(=O)[C@@H](NC(=O)CCOCCOCCOCCOCCN=[N+]=[N-])C(C)C)cc1.[N-]=[N+]=NCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O.

What is the InChIKey of (2R,5S)-5-amino-N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-5-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoate?

The InChIKey is BPOORAJSJBMHMP-ZRNQWBFTSA-N. The full InChI is InChI=1S/C45H65N11O8.C34H46N8O3.C15H24N4O8/c1-4-5-12-38-53-41-42(35-10-6-7-11-36(35)52-43(41)46)56(38)30-33-15-13-32(14-16-33)29-50-44(59)34(9-8-18-49-45(47)60)28-37(57)40(31(2)3)54-39(58)17-20-61-22-24-63-26-27-64-25-23-62-21-19-51-55-48;1-4-5-12-28-41-30-31(25-10-6-7-11-26(25)40-32(30)36)42(28)20-23-15-13-22(14-16-23)19-39-33(44)24(9-8-17-38-34(37)45)18-27(43)29(35)21(2)3;16-18-17-4-6-24-8-10-26-12-11-25-9-7-23-5-3-15(22)27-19-13(20)1-2-14(19)21/h6-7,10-11,13-16,31,34,40H,4-5,8-9,12,17-30H2,1-3H3,(H2,46,52)(H,50,59)(H,54,58)(H3,47,49,60);6-7,10-11,13-16,21,24,29H,4-5,8-9,12,17-20,35H2,1-3H3,(H2,36,40)(H,39,44)(H3,37,38,45);1-12H2/t34-,40+;24-,29+;/m11./s1.

What are the key properties of (2R,5S)-5-amino-N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-5-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoate?

(2R,5S)-5-amino-N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-5-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoate has a molecular weight of 1891.26 g/mol, XLogP of 9.65, 64 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,5S)-5-amino-N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2R,5S)-N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-5-[3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanamide;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]propanoate is sourced from PubChem (CID 157422517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).