N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-[4-[[[1-[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]triazol-4-yl]methyl-[2-[2-[[1-[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]triazol-4-yl]methyl-[[1-[2-[[(Z,2E)-2-ethylidenepent-3-enyl]amino]-2-oxoethyl]triazol-4-yl]methyl]amino]ethyl-[2-[bis[[1-[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]triazol-4-yl]methyl]amino]ethyl]amino]ethyl]amino]methyl]triazol-1-yl]acetamide

C153H174N48O6 — CID 90396990

About N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-[4-[[[1-[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]triazol-4-yl]methyl-[2-[2-[[1-[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]triazol-4-yl]methyl-[[1-[2-[[(Z,2E)-2-ethylidenepent-3-enyl]amino]-2-oxoethyl]triazol-4-yl]methyl]amino]ethyl-[2-[bis[[1-[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]triazol-4-yl]methyl]amino]ethyl]amino]ethyl]amino]methyl]triazol-1-yl]acetamide

N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-[4-[[[1-[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]triazol-4-yl]methyl-[2-[2-[[1-[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]triazol-4-yl]methyl-[[1-[2-[[(Z,2E)-2-ethylidenepent-3-enyl]amino]-2-oxoethyl]triazol-4-yl]methyl]amino]ethyl-[2-[bis[[1-[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]triazol-4-yl]methyl]amino]ethyl]amino]ethyl]amino]methyl]triazol-1-yl]acetamide (PubChem CID 90396990) has the molecular formula C153H174N48O6 and a molecular weight of 2781.40 g/mol. Its IUPAC name is N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-[4-[[[1-[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]triazol-4-yl]methyl-[2-[2-[[1-[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]triazol-4-yl]methyl-[[1-[2-[[(Z,2E)-2-ethylidenepent-3-enyl]amino]-2-oxoethyl]triazol-4-yl]methyl]amino]ethyl-[2-[bis[[1-[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]triazol-4-yl]methyl]amino]ethyl]amino]ethyl]amino]methyl]triazol-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-[4-[[[1-[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]triazol-4-yl]methyl-[2-[2-[[1-[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]triazol-4-yl]methyl-[[1-[2-[[(Z,2E)-2-ethylidenepent-3-enyl]amino]-2-oxoethyl]triazol-4-yl]methyl]amino]ethyl-[2-[bis[[1-[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]triazol-4-yl]methyl]amino]ethyl]amino]ethyl]amino]methyl]triazol-1-yl]acetamide
• PubChem CID: 90396990
• Molecular Formula: C153H174N48O6
• Molecular Weight: 2781.40 g/mol
• Exact Mass: 2779.48
• IUPAC Name: N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-[4-[[[1-[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]triazol-4-yl]methyl-[2-[2-[[1-[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]triazol-4-yl]methyl-[[1-[2-[[(Z,2E)-2-ethylidenepent-3-enyl]amino]-2-oxoethyl]triazol-4-yl]methyl]amino]ethyl-[2-[bis[[1-[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]triazol-4-yl]methyl]amino]ethyl]amino]ethyl]amino]methyl]triazol-1-yl]acetamide
• SMILES: C/C=C\C(=C/C)CNC(=O)Cn1cc(CN(CCN(CCN(Cc2cn(CC(=O)NCc3ccc(Cn4c(CCCC)nc5c(N)nc6ccccc6c54)cc3)nn2)Cc2cn(CC(=O)NCc3ccc(Cn4c(CCCC)nc5c(N)nc6ccccc6c54)cc3)nn2)CCN(Cc2cn(CC(=O)NCc3ccc(Cn4c(CCCC)nc5c(N)nc6ccccc6c54)cc3)nn2)Cc2cn(CC(=O)NCc3ccc(Cn4c(CCCC)nc5c(N)nc6ccccc6c54)cc3)nn2)Cc2cn(CC(=O)NCc3ccc(Cn4c(CCCC)nc5c(N)nc6ccccc6c54)cc3)nn2)nn1
• InChI: InChI=1S/C153H174N48O6/c1-8-15-41-128-170-139-144(118-31-20-25-36-123(118)165-149(139)154)197(128)78-107-56-46-102(47-57-107)73-160-134(203)96-192-90-113(176-182-192)84-188(83-112-89-191(181-175-112)95-133(202)159-72-101(14-7)30-13-6)69-66-187(67-70-189(85-114-91-193(183-177-114)97-135(204)161-74-103-48-58-108(59-49-103)79-198-129(42-16-9-2)171-140-145(198)119-32-21-26-37-124(119)166-150(140)155)86-115-92-194(184-178-115)98-136(205)162-75-104-50-60-109(61-51-104)80-199-130(43-17-10-3)172-141-146(199)120-33-22-27-38-125(120)167-151(141)156)68-71-190(87-116-93-195(185-179-116)99-137(206)163-76-105-52-62-110(63-53-105)81-200-131(44-18-11-4)173-142-147(200)121-34-23-28-39-126(121)168-152(142)157)88-117-94-196(186-180-117)100-138(207)164-77-106-54-64-111(65-55-106)82-201-132(45-19-12-5)174-143-148(201)122-35-24-29-40-127(122)169-153(143)158/h13-14,20-40,46-65,89-94H,8-12,15-19,41-45,66-88,95-100H2,1-7H3,(H2,154,165)(H2,155,166)(H2,156,167)(H2,157,168)(H2,158,169)(H,159,202)(H,160,203)(H,161,204)(H,162,205)(H,163,206)(H,164,207)/b30-13-,101-14+
• InChIKey: PXVMBBRHPLQXTO-QWMRXGOKSA-N
• XLogP: 17.52
• TPSA: 655.47 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 48
• Rotatable Bonds: 71
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2781.40
LogP ≤ 5	17.52
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-[4-[[[1-[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]triazol-4-yl]methyl-[2-[2-[[1-[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]triazol-4-yl]methyl-[[1-[2-[[(Z,2E)-2-ethylidenepent-3-enyl]amino]-2-oxoethyl]triazol-4-yl]methyl]amino]ethyl-[2-[bis[[1-[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]triazol-4-yl]methyl]amino]ethyl]amino]ethyl]amino]methyl]triazol-1-yl]acetamide?

The IUPAC name of N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-[4-[[[1-[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]triazol-4-yl]methyl-[2-[2-[[1-[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]triazol-4-yl]methyl-[[1-[2-[[(Z,2E)-2-ethylidenepent-3-enyl]amino]-2-oxoethyl]triazol-4-yl]methyl]amino]ethyl-[2-[bis[[1-[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]triazol-4-yl]methyl]amino]ethyl]amino]ethyl]amino]methyl]triazol-1-yl]acetamide (CID 90396990) is N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-[4-[[[1-[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]triazol-4-yl]methyl-[2-[2-[[1-[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]triazol-4-yl]methyl-[[1-[2-[[(Z,2E)-2-ethylidenepent-3-enyl]amino]-2-oxoethyl]triazol-4-yl]methyl]amino]ethyl-[2-[bis[[1-[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]triazol-4-yl]methyl]amino]ethyl]amino]ethyl]amino]methyl]triazol-1-yl]acetamide.

What is the SMILES notation for N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-[4-[[[1-[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]triazol-4-yl]methyl-[2-[2-[[1-[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]triazol-4-yl]methyl-[[1-[2-[[(Z,2E)-2-ethylidenepent-3-enyl]amino]-2-oxoethyl]triazol-4-yl]methyl]amino]ethyl-[2-[bis[[1-[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]triazol-4-yl]methyl]amino]ethyl]amino]ethyl]amino]methyl]triazol-1-yl]acetamide?

The canonical SMILES for N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-[4-[[[1-[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]triazol-4-yl]methyl-[2-[2-[[1-[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]triazol-4-yl]methyl-[[1-[2-[[(Z,2E)-2-ethylidenepent-3-enyl]amino]-2-oxoethyl]triazol-4-yl]methyl]amino]ethyl-[2-[bis[[1-[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]triazol-4-yl]methyl]amino]ethyl]amino]ethyl]amino]methyl]triazol-1-yl]acetamide is C/C=C\C(=C/C)CNC(=O)Cn1cc(CN(CCN(CCN(Cc2cn(CC(=O)NCc3ccc(Cn4c(CCCC)nc5c(N)nc6ccccc6c54)cc3)nn2)Cc2cn(CC(=O)NCc3ccc(Cn4c(CCCC)nc5c(N)nc6ccccc6c54)cc3)nn2)CCN(Cc2cn(CC(=O)NCc3ccc(Cn4c(CCCC)nc5c(N)nc6ccccc6c54)cc3)nn2)Cc2cn(CC(=O)NCc3ccc(Cn4c(CCCC)nc5c(N)nc6ccccc6c54)cc3)nn2)Cc2cn(CC(=O)NCc3ccc(Cn4c(CCCC)nc5c(N)nc6ccccc6c54)cc3)nn2)nn1.

What is the InChIKey of N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-[4-[[[1-[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]triazol-4-yl]methyl-[2-[2-[[1-[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]triazol-4-yl]methyl-[[1-[2-[[(Z,2E)-2-ethylidenepent-3-enyl]amino]-2-oxoethyl]triazol-4-yl]methyl]amino]ethyl-[2-[bis[[1-[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]triazol-4-yl]methyl]amino]ethyl]amino]ethyl]amino]methyl]triazol-1-yl]acetamide?

The InChIKey is PXVMBBRHPLQXTO-QWMRXGOKSA-N. The full InChI is InChI=1S/C153H174N48O6/c1-8-15-41-128-170-139-144(118-31-20-25-36-123(118)165-149(139)154)197(128)78-107-56-46-102(47-57-107)73-160-134(203)96-192-90-113(176-182-192)84-188(83-112-89-191(181-175-112)95-133(202)159-72-101(14-7)30-13-6)69-66-187(67-70-189(85-114-91-193(183-177-114)97-135(204)161-74-103-48-58-108(59-49-103)79-198-129(42-16-9-2)171-140-145(198)119-32-21-26-37-124(119)166-150(140)155)86-115-92-194(184-178-115)98-136(205)162-75-104-50-60-109(61-51-104)80-199-130(43-17-10-3)172-141-146(199)120-33-22-27-38-125(120)167-151(141)156)68-71-190(87-116-93-195(185-179-116)99-137(206)163-76-105-52-62-110(63-53-105)81-200-131(44-18-11-4)173-142-147(200)121-34-23-28-39-126(121)168-152(142)157)88-117-94-196(186-180-117)100-138(207)164-77-106-54-64-111(65-55-106)82-201-132(45-19-12-5)174-143-148(201)122-35-24-29-40-127(122)169-153(143)158/h13-14,20-40,46-65,89-94H,8-12,15-19,41-45,66-88,95-100H2,1-7H3,(H2,154,165)(H2,155,166)(H2,156,167)(H2,157,168)(H2,158,169)(H,159,202)(H,160,203)(H,161,204)(H,162,205)(H,163,206)(H,164,207)/b30-13-,101-14+.

What are the key properties of N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-[4-[[[1-[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]triazol-4-yl]methyl-[2-[2-[[1-[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]triazol-4-yl]methyl-[[1-[2-[[(Z,2E)-2-ethylidenepent-3-enyl]amino]-2-oxoethyl]triazol-4-yl]methyl]amino]ethyl-[2-[bis[[1-[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]triazol-4-yl]methyl]amino]ethyl]amino]ethyl]amino]methyl]triazol-1-yl]acetamide?

N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-[4-[[[1-[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]triazol-4-yl]methyl-[2-[2-[[1-[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]triazol-4-yl]methyl-[[1-[2-[[(Z,2E)-2-ethylidenepent-3-enyl]amino]-2-oxoethyl]triazol-4-yl]methyl]amino]ethyl-[2-[bis[[1-[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]triazol-4-yl]methyl]amino]ethyl]amino]ethyl]amino]methyl]triazol-1-yl]acetamide has a molecular weight of 2781.40 g/mol, XLogP of 17.52, 71 rotatable bonds, 11 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-2-[4-[[[1-[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]triazol-4-yl]methyl-[2-[2-[[1-[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]triazol-4-yl]methyl-[[1-[2-[[(Z,2E)-2-ethylidenepent-3-enyl]amino]-2-oxoethyl]triazol-4-yl]methyl]amino]ethyl-[2-[bis[[1-[2-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]triazol-4-yl]methyl]amino]ethyl]amino]ethyl]amino]methyl]triazol-1-yl]acetamide is sourced from PubChem (CID 90396990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).