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-[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-[2-[bis[[1-[4-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]-2-oxobutyl]triazol-4-yl]methyl]amino]ethyl]amino]ethyl]amino]methyl]triazol-1-yl]acetamide;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N,N-bis[2-[bis(prop-2-ynyl)amino]ethyl]-N',N'-bis(prop-2-ynyl)ethane-1,2-diamine

C200H236N58O6 — CID 159531914

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-[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-[2-[bis[[1-[4-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]-2-oxobutyl]triazol-4-yl]methyl]amino]ethyl]amino]ethyl]amino]methyl]triazol-1-yl]acetamide;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N,N-bis[2-[bis(prop-2-ynyl)amino]ethyl]-N',N'-bis(prop-2-ynyl)ethane-1,2-diamine

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-[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-[2-[bis[[1-[4-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]-2-oxobutyl]triazol-4-yl]methyl]amino]ethyl]amino]ethyl]amino]methyl]triazol-1-yl]acetamide;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N,N-bis[2-[bis(prop-2-ynyl)amino]ethyl]-N',N'-bis(prop-2-ynyl)ethane-1,2-diamine (PubChem CID 159531914) has the molecular formula C200H236N58O6 and a molecular weight of 3548.49 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-[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-[2-[bis[[1-[4-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]-2-oxobutyl]triazol-4-yl]methyl]amino]ethyl]amino]ethyl]amino]methyl]triazol-1-yl]acetamide;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N,N-bis[2-[bis(prop-2-ynyl)amino]ethyl]-N',N'-bis(prop-2-ynyl)ethane-1,2-diamine.

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-[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-[2-[bis[[1-[4-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]-2-oxobutyl]triazol-4-yl]methyl]amino]ethyl]amino]ethyl]amino]methyl]triazol-1-yl]acetamide;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N,N-bis[2-[bis(prop-2-ynyl)amino]ethyl]-N',N'-bis(prop-2-ynyl)ethane-1,2-diamine
• PubChem CID: 159531914
• Molecular Formula: C200H236N58O6
• Molecular Weight: 3548.49 g/mol
• Exact Mass: 3545.99
• 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-[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-[2-[bis[[1-[4-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]-2-oxobutyl]triazol-4-yl]methyl]amino]ethyl]amino]ethyl]amino]methyl]triazol-1-yl]acetamide;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N,N-bis[2-[bis(prop-2-ynyl)amino]ethyl]-N',N'-bis(prop-2-ynyl)ethane-1,2-diamine
• SMILES: C#CCN(CC#C)CCN(CCN(CC#C)CC#C)CCN(CC#C)CC#C.CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CCC(=O)Cn2cc(CN(CCN(CCN(Cc3cn(CC(=O)NCc4ccc(Cn5c(CCCC)nc6c(N)nc7ccccc7c65)cc4)nn3)Cc3cn(CC(=O)NCc4ccc(Cn5c(CCCC)nc6c(N)nc7ccccc7c65)cc4)nn3)CCN(Cc3cn(CC(=O)NCc4ccc(Cn5c(CCCC)nc6c(N)nc7ccccc7c65)cc4)nn3)Cc3cn(CC(=O)NCc4ccc(Cn5c(CCCC)nc6c(N)nc7ccccc7c65)cc4)nn3)Cc3cn(CC(=O)CCc4ccc(Cn5c(CCCC)nc6c(N)nc7ccccc7c65)cc4)nn3)nn2)cc1.NCCN(CCN)CCN
• InChI: InChI=1S/C170H188N50O6.C24H30N4.C6H18N4/c1-7-13-43-143-187-153-159(131-31-19-25-37-137(131)181-165(153)171)215(143)87-117-61-49-111(50-62-117)73-75-129(221)105-209-99-123(193-199-209)93-206(94-124-100-210(200-194-124)106-130(222)76-74-112-51-63-118(64-52-112)88-216-144(44-14-8-2)188-154-160(216)132-32-20-26-38-138(132)182-166(154)172)80-77-205(78-81-207(95-125-101-211(201-195-125)107-149(223)177-83-113-53-65-119(66-54-113)89-217-145(45-15-9-3)189-155-161(217)133-33-21-27-39-139(133)183-167(155)173)96-126-102-212(202-196-126)108-150(224)178-84-114-55-67-120(68-56-114)90-218-146(46-16-10-4)190-156-162(218)134-34-22-28-40-140(134)184-168(156)174)79-82-208(97-127-103-213(203-197-127)109-151(225)179-85-115-57-69-121(70-58-115)91-219-147(47-17-11-5)191-157-163(219)135-35-23-29-41-141(135)185-169(157)175)98-128-104-214(204-198-128)110-152(226)180-86-116-59-71-122(72-60-116)92-220-148(48-18-12-6)192-158-164(220)136-36-24-30-42-142(136)186-170(158)176;1-7-13-25(14-8-2)19-22-28(23-20-26(15-9-3)16-10-4)24-21-27(17-11-5)18-12-6;7-1-4-10(5-2-8)6-3-9/h19-42,49-72,99-104H,7-18,43-48,73-98,105-110H2,1-6H3,(H2,171,181)(H2,172,182)(H2,173,183)(H2,174,184)(H2,175,185)(H2,176,186)(H,177,223)(H,178,224)(H,179,225)(H,180,226);1-6H,13-24H2;1-9H2
• InChIKey: MDCJQHIDWBCEJT-UHFFFAOYSA-N
• XLogP: 20.00
• TPSA: 782.40 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 60
• Rotatable Bonds: 98
• Heavy Atoms: 264
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3548.49
LogP ≤ 5	20.00
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	60

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', '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-[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-[2-[bis[[1-[4-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]-2-oxobutyl]triazol-4-yl]methyl]amino]ethyl]amino]ethyl]amino]methyl]triazol-1-yl]acetamide;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N,N-bis[2-[bis(prop-2-ynyl)amino]ethyl]-N',N'-bis(prop-2-ynyl)ethane-1,2-diamine?

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-[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-[2-[bis[[1-[4-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]-2-oxobutyl]triazol-4-yl]methyl]amino]ethyl]amino]ethyl]amino]methyl]triazol-1-yl]acetamide;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N,N-bis[2-[bis(prop-2-ynyl)amino]ethyl]-N',N'-bis(prop-2-ynyl)ethane-1,2-diamine (CID 159531914) 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-[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-[2-[bis[[1-[4-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]-2-oxobutyl]triazol-4-yl]methyl]amino]ethyl]amino]ethyl]amino]methyl]triazol-1-yl]acetamide;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N,N-bis[2-[bis(prop-2-ynyl)amino]ethyl]-N',N'-bis(prop-2-ynyl)ethane-1,2-diamine.

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-[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-[2-[bis[[1-[4-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]-2-oxobutyl]triazol-4-yl]methyl]amino]ethyl]amino]ethyl]amino]methyl]triazol-1-yl]acetamide;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N,N-bis[2-[bis(prop-2-ynyl)amino]ethyl]-N',N'-bis(prop-2-ynyl)ethane-1,2-diamine?

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-[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-[2-[bis[[1-[4-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]-2-oxobutyl]triazol-4-yl]methyl]amino]ethyl]amino]ethyl]amino]methyl]triazol-1-yl]acetamide;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N,N-bis[2-[bis(prop-2-ynyl)amino]ethyl]-N',N'-bis(prop-2-ynyl)ethane-1,2-diamine is C#CCN(CC#C)CCN(CCN(CC#C)CC#C)CCN(CC#C)CC#C.CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CCC(=O)Cn2cc(CN(CCN(CCN(Cc3cn(CC(=O)NCc4ccc(Cn5c(CCCC)nc6c(N)nc7ccccc7c65)cc4)nn3)Cc3cn(CC(=O)NCc4ccc(Cn5c(CCCC)nc6c(N)nc7ccccc7c65)cc4)nn3)CCN(Cc3cn(CC(=O)NCc4ccc(Cn5c(CCCC)nc6c(N)nc7ccccc7c65)cc4)nn3)Cc3cn(CC(=O)NCc4ccc(Cn5c(CCCC)nc6c(N)nc7ccccc7c65)cc4)nn3)Cc3cn(CC(=O)CCc4ccc(Cn5c(CCCC)nc6c(N)nc7ccccc7c65)cc4)nn3)nn2)cc1.NCCN(CCN)CCN.

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-[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-[2-[bis[[1-[4-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]-2-oxobutyl]triazol-4-yl]methyl]amino]ethyl]amino]ethyl]amino]methyl]triazol-1-yl]acetamide;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N,N-bis[2-[bis(prop-2-ynyl)amino]ethyl]-N',N'-bis(prop-2-ynyl)ethane-1,2-diamine?

The InChIKey is MDCJQHIDWBCEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C170H188N50O6.C24H30N4.C6H18N4/c1-7-13-43-143-187-153-159(131-31-19-25-37-137(131)181-165(153)171)215(143)87-117-61-49-111(50-62-117)73-75-129(221)105-209-99-123(193-199-209)93-206(94-124-100-210(200-194-124)106-130(222)76-74-112-51-63-118(64-52-112)88-216-144(44-14-8-2)188-154-160(216)132-32-20-26-38-138(132)182-166(154)172)80-77-205(78-81-207(95-125-101-211(201-195-125)107-149(223)177-83-113-53-65-119(66-54-113)89-217-145(45-15-9-3)189-155-161(217)133-33-21-27-39-139(133)183-167(155)173)96-126-102-212(202-196-126)108-150(224)178-84-114-55-67-120(68-56-114)90-218-146(46-16-10-4)190-156-162(218)134-34-22-28-40-140(134)184-168(156)174)79-82-208(97-127-103-213(203-197-127)109-151(225)179-85-115-57-69-121(70-58-115)91-219-147(47-17-11-5)191-157-163(219)135-35-23-29-41-141(135)185-169(157)175)98-128-104-214(204-198-128)110-152(226)180-86-116-59-71-122(72-60-116)92-220-148(48-18-12-6)192-158-164(220)136-36-24-30-42-142(136)186-170(158)176;1-7-13-25(14-8-2)19-22-28(23-20-26(15-9-3)16-10-4)24-21-27(17-11-5)18-12-6;7-1-4-10(5-2-8)6-3-9/h19-42,49-72,99-104H,7-18,43-48,73-98,105-110H2,1-6H3,(H2,171,181)(H2,172,182)(H2,173,183)(H2,174,184)(H2,175,185)(H2,176,186)(H,177,223)(H,178,224)(H,179,225)(H,180,226);1-6H,13-24H2;1-9H2.

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-[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-[2-[bis[[1-[4-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]-2-oxobutyl]triazol-4-yl]methyl]amino]ethyl]amino]ethyl]amino]methyl]triazol-1-yl]acetamide;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N,N-bis[2-[bis(prop-2-ynyl)amino]ethyl]-N',N'-bis(prop-2-ynyl)ethane-1,2-diamine?

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-[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-[2-[bis[[1-[4-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]-2-oxobutyl]triazol-4-yl]methyl]amino]ethyl]amino]ethyl]amino]methyl]triazol-1-yl]acetamide;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N,N-bis[2-[bis(prop-2-ynyl)amino]ethyl]-N',N'-bis(prop-2-ynyl)ethane-1,2-diamine has a molecular weight of 3548.49 g/mol, XLogP of 20.00, 98 rotatable bonds, 13 hydrogen bond donors, and 60 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-[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-[2-[bis[[1-[4-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]-2-oxobutyl]triazol-4-yl]methyl]amino]ethyl]amino]ethyl]amino]methyl]triazol-1-yl]acetamide;N',N'-bis(2-aminoethyl)ethane-1,2-diamine;N,N-bis[2-[bis(prop-2-ynyl)amino]ethyl]-N',N'-bis(prop-2-ynyl)ethane-1,2-diamine is sourced from PubChem (CID 159531914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).