7-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-1-aminooxyheptan-2-one

C21H29N5O2 — CID 165105323

IUPAC7-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-1-aminooxyheptan-2-one
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CCCCCC(=O)CON
InChIInChI=1S/C21H29N5O2/c1-2-3-12-18-25-19-20(16-10-6-7-11-17(16)24-21(19)22)26(18)13-8-4-5-9-15(27)14-28-23/h6-7,10-11H,2-5,8-9,12-14,23H2,1H3,(H2,22,24)
InChIKeyZAHKAOOTQZPUTI-UHFFFAOYSA-N
MW383.50 g/mol
LogP3.53
Rot. Bonds11

About 7-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-1-aminooxyheptan-2-one

7-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-1-aminooxyheptan-2-one (PubChem CID 165105323) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 7-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-1-aminooxyheptan-2-one.

Molecular Properties

Compound Name7-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-1-aminooxyheptan-2-one
PubChem CID165105323
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name7-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-1-aminooxyheptan-2-one
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CCCCCC(=O)CON
InChIInChI=1S/C21H29N5O2/c1-2-3-12-18-25-19-20(16-10-6-7-11-17(16)24-21(19)22)26(18)13-8-4-5-9-15(27)14-28-23/h6-7,10-11H,2-5,8-9,12-14,23H2,1H3,(H2,22,24)
InChIKeyZAHKAOOTQZPUTI-UHFFFAOYSA-N
XLogP3.53
TPSA109.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
(2,3,5,6-tetrafluorophenyl) 12-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-7-oxododecanoate
CID 158477509
4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[7-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)heptoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 163909468
4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butanoic acid
CID 141281240
2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]guanidine;hydrochloride
CID 126650986
[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
2-butyl-1-[4-(ethylaminooxy)butyl]imidazo[4,5-c]quinolin-4-amine;ethane
CID 143008375
2-butyl-1-(4-tert-butylsulfanylbutyl)imidazo[4,5-c]quinolin-4-amine
CID 10287302
4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-1-pyrazin-2-ylbutan-1-one
CID 165031599
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

Frequently Asked Questions

What is the IUPAC name of 7-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-1-aminooxyheptan-2-one?
The IUPAC name of 7-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-1-aminooxyheptan-2-one (CID 165105323) is 7-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-1-aminooxyheptan-2-one.
What is the SMILES notation for 7-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-1-aminooxyheptan-2-one?
The canonical SMILES for 7-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-1-aminooxyheptan-2-one is CCCCc1nc2c(N)nc3ccccc3c2n1CCCCCC(=O)CON.
What is the InChIKey of 7-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-1-aminooxyheptan-2-one?
The InChIKey is ZAHKAOOTQZPUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-2-3-12-18-25-19-20(16-10-6-7-11-17(16)24-21(19)22)26(18)13-8-4-5-9-15(27)14-28-23/h6-7,10-11H,2-5,8-9,12-14,23H2,1H3,(H2,22,24).
What are the key properties of 7-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-1-aminooxyheptan-2-one?
7-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-1-aminooxyheptan-2-one has a molecular weight of 383.50 g/mol, XLogP of 3.53, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-1-aminooxyheptan-2-one is sourced from PubChem (CID 165105323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).