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-[bis[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

C168H186N52O6 — CID 89216315

IUPACN-[[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-[bis[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
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CNC(=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)NCc4ccc(Cn5c(CCCC)nc6c(N)nc7ccccc7c65)cc4)nn3)nn2)cc1
InChIInChI=1S/C168H186N52O6/c1-7-13-43-139-187-151-157(127-31-19-25-37-133(127)181-163(151)169)215(139)85-115-61-49-109(50-62-115)79-175-145(221)103-209-97-121(193-199-209)91-206(92-122-98-210(200-194-122)104-146(222)176-80-110-51-63-116(64-52-110)86-216-140(44-14-8-2)188-152-158(216)128-32-20-26-38-134(128)182-164(152)170)76-73-205(74-77-207(93-123-99-211(201-195-123)105-147(223)177-81-111-53-65-117(66-54-111)87-217-141(45-15-9-3)189-153-159(217)129-33-21-27-39-135(129)183-165(153)171)94-124-100-212(202-196-124)106-148(224)178-82-112-55-67-118(68-56-112)88-218-142(46-16-10-4)190-154-160(218)130-34-22-28-40-136(130)184-166(154)172)75-78-208(95-125-101-213(203-197-125)107-149(225)179-83-113-57-69-119(70-58-113)89-219-143(47-17-11-5)191-155-161(219)131-35-23-29-41-137(131)185-167(155)173)96-126-102-214(204-198-126)108-150(226)180-84-114-59-71-120(72-60-114)90-220-144(48-18-12-6)192-156-162(220)132-36-24-30-42-138(132)186-168(156)174/h19-42,49-72,97-102H,7-18,43-48,73-96,103-108H2,1-6H3,(H2,169,181)(H2,170,182)(H2,171,183)(H2,172,184)(H2,173,185)(H2,174,186)(H,175,221)(H,176,222)(H,177,223)(H,178,224)(H,179,225)(H,180,226)
InChIKeyJFBISVSHAZDESJ-UHFFFAOYSA-N
MW3029.69 g/mol
LogP20.07
Rot. Bonds75

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-[bis[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-[bis[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 89216315) has the molecular formula C168H186N52O6 and a molecular weight of 3029.69 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-[bis[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 NameN-[[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-[bis[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 CID89216315
Molecular FormulaC168H186N52O6
Molecular Weight3029.69 g/mol
Exact Mass3027.58
IUPAC NameN-[[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-[bis[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
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CNC(=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)NCc4ccc(Cn5c(CCCC)nc6c(N)nc7ccccc7c65)cc4)nn3)nn2)cc1
InChIInChI=1S/C168H186N52O6/c1-7-13-43-139-187-151-157(127-31-19-25-37-133(127)181-163(151)169)215(139)85-115-61-49-109(50-62-115)79-175-145(221)103-209-97-121(193-199-209)91-206(92-122-98-210(200-194-122)104-146(222)176-80-110-51-63-116(64-52-110)86-216-140(44-14-8-2)188-152-158(216)128-32-20-26-38-134(128)182-164(152)170)76-73-205(74-77-207(93-123-99-211(201-195-123)105-147(223)177-81-111-53-65-117(66-54-111)87-217-141(45-15-9-3)189-153-159(217)129-33-21-27-39-135(129)183-165(153)171)94-124-100-212(202-196-124)106-148(224)178-82-112-55-67-118(68-56-112)88-218-142(46-16-10-4)190-154-160(218)130-34-22-28-40-136(130)184-166(154)172)75-78-208(95-125-101-213(203-197-125)107-149(225)179-83-113-57-69-119(70-58-113)89-219-143(47-17-11-5)191-155-161(219)131-35-23-29-41-137(131)185-167(155)173)96-126-102-214(204-198-126)108-150(226)180-84-114-59-71-120(72-60-114)90-220-144(48-18-12-6)192-156-162(220)132-36-24-30-42-138(132)186-168(156)174/h19-42,49-72,97-102H,7-18,43-48,73-96,103-108H2,1-6H3,(H2,169,181)(H2,170,182)(H2,171,183)(H2,172,184)(H2,173,185)(H2,174,186)(H,175,221)(H,176,222)(H,177,223)(H,178,224)(H,179,225)(H,180,226)
InChIKeyJFBISVSHAZDESJ-UHFFFAOYSA-N
XLogP20.07
TPSA712.20 Ų
H-Bond Donors12
H-Bond Acceptors52
Rotatable Bonds75
Heavy Atoms226
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003029.69
LogP ≤ 520.07
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1052

Analyze 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-[bis[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 with MolForge

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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-[bis[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-[bis[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 89216315) 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-[bis[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-[bis[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-[bis[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 CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CNC(=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)NCc4ccc(Cn5c(CCCC)nc6c(N)nc7ccccc7c65)cc4)nn3)nn2)cc1.
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-[bis[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 JFBISVSHAZDESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C168H186N52O6/c1-7-13-43-139-187-151-157(127-31-19-25-37-133(127)181-163(151)169)215(139)85-115-61-49-109(50-62-115)79-175-145(221)103-209-97-121(193-199-209)91-206(92-122-98-210(200-194-122)104-146(222)176-80-110-51-63-116(64-52-110)86-216-140(44-14-8-2)188-152-158(216)128-32-20-26-38-134(128)182-164(152)170)76-73-205(74-77-207(93-123-99-211(201-195-123)105-147(223)177-81-111-53-65-117(66-54-111)87-217-141(45-15-9-3)189-153-159(217)129-33-21-27-39-135(129)183-165(153)171)94-124-100-212(202-196-124)106-148(224)178-82-112-55-67-118(68-56-112)88-218-142(46-16-10-4)190-154-160(218)130-34-22-28-40-136(130)184-166(154)172)75-78-208(95-125-101-213(203-197-125)107-149(225)179-83-113-57-69-119(70-58-113)89-219-143(47-17-11-5)191-155-161(219)131-35-23-29-41-137(131)185-167(155)173)96-126-102-214(204-198-126)108-150(226)180-84-114-59-71-120(72-60-114)90-220-144(48-18-12-6)192-156-162(220)132-36-24-30-42-138(132)186-168(156)174/h19-42,49-72,97-102H,7-18,43-48,73-96,103-108H2,1-6H3,(H2,169,181)(H2,170,182)(H2,171,183)(H2,172,184)(H2,173,185)(H2,174,186)(H,175,221)(H,176,222)(H,177,223)(H,178,224)(H,179,225)(H,180,226).
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-[bis[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-[bis[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 3029.69 g/mol, XLogP of 20.07, 75 rotatable bonds, 12 hydrogen bond donors, and 52 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-[bis[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 89216315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).