N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-N-tert-butylheptanamide;N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-N-tert-butylhexanamide;N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]heptanamide

C99H134N14O3 — CID 159470996

IUPACN-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-N-tert-butylheptanamide;N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-N-tert-butylhexanamide;N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]heptanamide
SMILESCCCCCC(=O)N(Cc1ccc(Cn2c(CCCC)nc3c(N)nc4ccccc4c32)cc1)C(C)(C)C.CCCCCCC(=O)N(Cc1ccc(Cn2c(CCCC)nc3c(N)nc4ccccc4c32)cc1)C(C)(C)C.CCCCCCC(=O)NCc1ccc(Cn2c(CCCC)nc3c(CC(C)(C)C)nc4ccccc4c32)cc1
InChIInChI=1S/C34H46N4O.C33H45N5O.C32H43N5O/c1-6-8-10-11-17-31(39)35-23-25-18-20-26(21-19-25)24-38-30(16-9-7-2)37-32-29(22-34(3,4)5)36-28-15-13-12-14-27(28)33(32)38;1-6-8-10-11-17-29(39)38(33(3,4)5)23-25-20-18-24(19-21-25)22-37-28(16-9-7-2)36-30-31(37)26-14-12-13-15-27(26)35-32(30)34;1-6-8-10-16-28(38)37(32(3,4)5)22-24-19-17-23(18-20-24)21-36-27(15-9-7-2)35-29-30(36)25-13-11-12-14-26(25)34-31(29)33/h12-15,18-21H,6-11,16-17,22-24H2,1-5H3,(H,35,39);12-15,18-21H,6-11,16-17,22-23H2,1-5H3,(H2,34,35);11-14,17-20H,6-10,15-16,21-22H2,1-5H3,(H2,33,34)
InChIKeyLVUNEHJXXYPIHK-UHFFFAOYSA-N
MW1568.26 g/mol
LogP23.07
Rot. Bonds36

About N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-N-tert-butylheptanamide;N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-N-tert-butylhexanamide;N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]heptanamide

N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-N-tert-butylheptanamide;N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-N-tert-butylhexanamide;N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]heptanamide (PubChem CID 159470996) has the molecular formula C99H134N14O3 and a molecular weight of 1568.26 g/mol. Its IUPAC name is N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-N-tert-butylheptanamide;N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-N-tert-butylhexanamide;N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]heptanamide.

Molecular Properties

Compound NameN-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-N-tert-butylheptanamide;N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-N-tert-butylhexanamide;N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]heptanamide
PubChem CID159470996
Molecular FormulaC99H134N14O3
Molecular Weight1568.26 g/mol
Exact Mass1567.08
IUPAC NameN-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-N-tert-butylheptanamide;N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-N-tert-butylhexanamide;N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]heptanamide
SMILESCCCCCC(=O)N(Cc1ccc(Cn2c(CCCC)nc3c(N)nc4ccccc4c32)cc1)C(C)(C)C.CCCCCCC(=O)N(Cc1ccc(Cn2c(CCCC)nc3c(N)nc4ccccc4c32)cc1)C(C)(C)C.CCCCCCC(=O)NCc1ccc(Cn2c(CCCC)nc3c(CC(C)(C)C)nc4ccccc4c32)cc1
InChIInChI=1S/C34H46N4O.C33H45N5O.C32H43N5O/c1-6-8-10-11-17-31(39)35-23-25-18-20-26(21-19-25)24-38-30(16-9-7-2)37-32-29(22-34(3,4)5)36-28-15-13-12-14-27(28)33(32)38;1-6-8-10-11-17-29(39)38(33(3,4)5)23-25-20-18-24(19-21-25)22-37-28(16-9-7-2)36-30-31(37)26-14-12-13-15-27(26)35-32(30)34;1-6-8-10-16-28(38)37(32(3,4)5)22-24-19-17-23(18-20-24)21-36-27(15-9-7-2)35-29-30(36)25-13-11-12-14-26(25)34-31(29)33/h12-15,18-21H,6-11,16-17,22-24H2,1-5H3,(H,35,39);12-15,18-21H,6-11,16-17,22-23H2,1-5H3,(H2,34,35);11-14,17-20H,6-10,15-16,21-22H2,1-5H3,(H2,33,34)
InChIKeyLVUNEHJXXYPIHK-UHFFFAOYSA-N
XLogP23.07
TPSA213.89 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds36
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001568.26
LogP ≤ 523.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-N-tert-butylheptanamide;N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-N-tert-butylhexanamide;N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]heptanamide with MolForge

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Related Compounds

N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-N-tert-butylhexadecanamide
CID 138645202
N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-N-tert-butyloctadecanamide
CID 138645359
N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]nonadecanamide
CID 147487530
N-[[4-[[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]tetradecanamide
CID 138645098
N-[[4-[[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]octanamide
CID 138645094
N-[[4-[[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]tridecanamide
CID 138644999
N,N'-bis[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-3-hexylhexanediamide
CID 134506273
2-butyl-1-[[4-[[tert-butyl(cyclobutylmethyl)amino]methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine;N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]-1-cyclobutylmethanamine;N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]-2-cyclopropyl-2-methylpropan-1-amine
CID 162076130
tert-butyl N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate
CID 71472212
2-butyl-1-[[4-[(nonadecylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
CID 138618993
[4-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methylcarbamoyl]phenyl]boronic acid
CID 71009411
2-(2,2-dimethylbutanoylamino)ethyl N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate
CID 140918542

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-N-tert-butylheptanamide;N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-N-tert-butylhexanamide;N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]heptanamide?
The IUPAC name of N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-N-tert-butylheptanamide;N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-N-tert-butylhexanamide;N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]heptanamide (CID 159470996) is N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-N-tert-butylheptanamide;N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-N-tert-butylhexanamide;N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]heptanamide.
What is the SMILES notation for N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-N-tert-butylheptanamide;N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-N-tert-butylhexanamide;N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]heptanamide?
The canonical SMILES for N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-N-tert-butylheptanamide;N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-N-tert-butylhexanamide;N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]heptanamide is CCCCCC(=O)N(Cc1ccc(Cn2c(CCCC)nc3c(N)nc4ccccc4c32)cc1)C(C)(C)C.CCCCCCC(=O)N(Cc1ccc(Cn2c(CCCC)nc3c(N)nc4ccccc4c32)cc1)C(C)(C)C.CCCCCCC(=O)NCc1ccc(Cn2c(CCCC)nc3c(CC(C)(C)C)nc4ccccc4c32)cc1.
What is the InChIKey of N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-N-tert-butylheptanamide;N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-N-tert-butylhexanamide;N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]heptanamide?
The InChIKey is LVUNEHJXXYPIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46N4O.C33H45N5O.C32H43N5O/c1-6-8-10-11-17-31(39)35-23-25-18-20-26(21-19-25)24-38-30(16-9-7-2)37-32-29(22-34(3,4)5)36-28-15-13-12-14-27(28)33(32)38;1-6-8-10-11-17-29(39)38(33(3,4)5)23-25-20-18-24(19-21-25)22-37-28(16-9-7-2)36-30-31(37)26-14-12-13-15-27(26)35-32(30)34;1-6-8-10-16-28(38)37(32(3,4)5)22-24-19-17-23(18-20-24)21-36-27(15-9-7-2)35-29-30(36)25-13-11-12-14-26(25)34-31(29)33/h12-15,18-21H,6-11,16-17,22-24H2,1-5H3,(H,35,39);12-15,18-21H,6-11,16-17,22-23H2,1-5H3,(H2,34,35);11-14,17-20H,6-10,15-16,21-22H2,1-5H3,(H2,33,34).
What are the key properties of N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-N-tert-butylheptanamide;N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-N-tert-butylhexanamide;N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]heptanamide?
N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-N-tert-butylheptanamide;N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-N-tert-butylhexanamide;N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]heptanamide has a molecular weight of 1568.26 g/mol, XLogP of 23.07, 36 rotatable bonds, 3 hydrogen bond donors, and 14 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]-N-tert-butylheptanamide;N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]-N-tert-butylhexanamide;N-[[4-[[2-butyl-4-(2,2-dimethylpropyl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]heptanamide is sourced from PubChem (CID 159470996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).