1-N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-4-N-oxocyclohexane-1,4-dicarboxamide

C26H34N6O3 — CID 167295967

IUPAC1-N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-4-N-oxocyclohexane-1,4-dicarboxamide
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CCCCNC(=O)C1CCC(C(=O)N=O)CC1
InChIInChI=1S/C26H34N6O3/c1-2-3-10-21-30-22-23(19-8-4-5-9-20(19)29-24(22)27)32(21)16-7-6-15-28-25(33)17-11-13-18(14-12-17)26(34)31-35/h4-5,8-9,17-18H,2-3,6-7,10-16H2,1H3,(H2,27,29)(H,28,33)
InChIKeyWWWUNNPDLYTLOR-UHFFFAOYSA-N
MW478.60 g/mol
LogP4.51
Rot. Bonds10

About 1-N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-4-N-oxocyclohexane-1,4-dicarboxamide

1-N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-4-N-oxocyclohexane-1,4-dicarboxamide (PubChem CID 167295967) has the molecular formula C26H34N6O3 and a molecular weight of 478.60 g/mol. Its IUPAC name is 1-N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-4-N-oxocyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-4-N-oxocyclohexane-1,4-dicarboxamide
PubChem CID167295967
Molecular FormulaC26H34N6O3
Molecular Weight478.60 g/mol
Exact Mass478.27
IUPAC Name1-N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-4-N-oxocyclohexane-1,4-dicarboxamide
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CCCCNC(=O)C1CCC(C(=O)N=O)CC1
InChIInChI=1S/C26H34N6O3/c1-2-3-10-21-30-22-23(19-8-4-5-9-20(19)29-24(22)27)32(21)16-7-6-15-28-25(33)17-11-13-18(14-12-17)26(34)31-35/h4-5,8-9,17-18H,2-3,6-7,10-16H2,1H3,(H2,27,29)(H,28,33)
InChIKeyWWWUNNPDLYTLOR-UHFFFAOYSA-N
XLogP4.51
TPSA132.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol
CID 138457331
4-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]-4-oxobutanoic acid
CID 135137543
N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl]benzamide
CID 23512725
N-[2-[2-[4-amino-2-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]cyclopropanecarboxamide
CID 142145309
2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-(2-chlorophenyl)urea
CID 22985761
1-N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-4-N-[2-[2-[3-[[3-(aminomethyl)cyclononyl]methylamino]-3-oxopropoxy]ethoxy]ethyl]cyclohexane-1,4-dicarboxamide
CID 154972230
N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-N'-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanediamide
CID 167295895
1-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-3-benzylurea
CID 18616841
2-butyl-1-[4-(ethylaminooxy)butyl]imidazo[4,5-c]quinolin-4-amine;ethane
CID 143008375
N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-N'-[(3-aminocyclotridecyl)methyl]butanediamide
CID 154972256
N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)propanamide
CID 145439399

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-4-N-oxocyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-4-N-oxocyclohexane-1,4-dicarboxamide (CID 167295967) is 1-N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-4-N-oxocyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-4-N-oxocyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-4-N-oxocyclohexane-1,4-dicarboxamide is CCCCc1nc2c(N)nc3ccccc3c2n1CCCCNC(=O)C1CCC(C(=O)N=O)CC1.
What is the InChIKey of 1-N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-4-N-oxocyclohexane-1,4-dicarboxamide?
The InChIKey is WWWUNNPDLYTLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O3/c1-2-3-10-21-30-22-23(19-8-4-5-9-20(19)29-24(22)27)32(21)16-7-6-15-28-25(33)17-11-13-18(14-12-17)26(34)31-35/h4-5,8-9,17-18H,2-3,6-7,10-16H2,1H3,(H2,27,29)(H,28,33).
What are the key properties of 1-N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-4-N-oxocyclohexane-1,4-dicarboxamide?
1-N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-4-N-oxocyclohexane-1,4-dicarboxamide has a molecular weight of 478.60 g/mol, XLogP of 4.51, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-4-N-oxocyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 167295967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).