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

C22H24N6O — CID 165031599

IUPAC4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-1-pyrazin-2-ylbutan-1-one
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CCCC(=O)c1cnccn1
InChIInChI=1S/C22H24N6O/c1-2-3-10-19-27-20-21(15-7-4-5-8-16(15)26-22(20)23)28(19)13-6-9-18(29)17-14-24-11-12-25-17/h4-5,7-8,11-12,14H,2-3,6,9-10,13H2,1H3,(H2,23,26)
InChIKeyMSXFBYLHGRIKHP-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.96
Rot. Bonds8

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

4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-1-pyrazin-2-ylbutan-1-one (PubChem CID 165031599) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-1-pyrazin-2-ylbutan-1-one.

Molecular Properties

Compound Name4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-1-pyrazin-2-ylbutan-1-one
PubChem CID165031599
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-1-pyrazin-2-ylbutan-1-one
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CCCC(=O)c1cnccn1
InChIInChI=1S/C22H24N6O/c1-2-3-10-19-27-20-21(15-7-4-5-8-16(15)26-22(20)23)28(19)13-6-9-18(29)17-14-24-11-12-25-17/h4-5,7-8,11-12,14H,2-3,6,9-10,13H2,1H3,(H2,23,26)
InChIKeyMSXFBYLHGRIKHP-UHFFFAOYSA-N
XLogP3.96
TPSA99.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]pyrazine-2-carboxamide
CID 154682733
4-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butanoic acid
CID 141281240
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-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
7-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-1-aminooxyheptan-2-one
CID 165105323
N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propyl]benzamide
CID 23512725
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
4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl-dimethyl-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]azanium
CID 164947266
2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]guanidine;hydrochloride
CID 126650986
1-(4-chlorobutyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 22320471

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-1-pyrazin-2-ylbutan-1-one?
The IUPAC name of 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-1-pyrazin-2-ylbutan-1-one (CID 165031599) is 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-1-pyrazin-2-ylbutan-1-one.
What is the SMILES notation for 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-1-pyrazin-2-ylbutan-1-one?
The canonical SMILES for 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-1-pyrazin-2-ylbutan-1-one is CCCCc1nc2c(N)nc3ccccc3c2n1CCCC(=O)c1cnccn1.
What is the InChIKey of 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-1-pyrazin-2-ylbutan-1-one?
The InChIKey is MSXFBYLHGRIKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-2-3-10-19-27-20-21(15-7-4-5-8-16(15)26-22(20)23)28(19)13-6-9-18(29)17-14-24-11-12-25-17/h4-5,7-8,11-12,14H,2-3,6,9-10,13H2,1H3,(H2,23,26).
What are the key properties of 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-1-pyrazin-2-ylbutan-1-one?
4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-1-pyrazin-2-ylbutan-1-one has a molecular weight of 388.48 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-1-pyrazin-2-ylbutan-1-one is sourced from PubChem (CID 165031599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).