[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol

C19H27N5O — CID 138457331

IUPAC[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CCCCNCO
InChIInChI=1S/C19H27N5O/c1-2-3-10-16-23-17-18(24(16)12-7-6-11-21-13-25)14-8-4-5-9-15(14)22-19(17)20/h4-5,8-9,21,25H,2-3,6-7,10-13H2,1H3,(H2,20,22)
InChIKeyIQNFHCDUAIEUJN-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.83
Rot. Bonds9

About [4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol

[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol (PubChem CID 138457331) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is [4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol.

Molecular Properties

Compound Name[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol
PubChem CID138457331
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CCCCNCO
InChIInChI=1S/C19H27N5O/c1-2-3-10-16-23-17-18(24(16)12-7-6-11-21-13-25)14-8-4-5-9-15(14)22-19(17)20/h4-5,8-9,21,25H,2-3,6-7,10-13H2,1H3,(H2,20,22)
InChIKeyIQNFHCDUAIEUJN-UHFFFAOYSA-N
XLogP2.83
TPSA88.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
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-[4-amino-1-[4-(methylamino)butyl]imidazo[4,5-c]quinolin-2-yl]ethanol
CID 142032833
2-butyl-1-[4-[(2,3,4,5,6-pentamethylphenyl)sulfanylamino]butyl]imidazo[4,5-c]quinolin-4-amine
CID 142033105
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
methyl 2-[4-[[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propylamino]methyl]phenyl]acetate
CID 25106601
2-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]guanidine;hydrochloride
CID 126650986
1-butyl-2-(ethylaminomethyl)imidazo[4,5-c]quinolin-4-amine
CID 175027745
1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-3-(2-chlorophenyl)urea
CID 22985761
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

Frequently Asked Questions

What is the IUPAC name of [4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol?
The IUPAC name of [4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol (CID 138457331) is [4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol.
What is the SMILES notation for [4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol?
The canonical SMILES for [4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol is CCCCc1nc2c(N)nc3ccccc3c2n1CCCCNCO.
What is the InChIKey of [4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol?
The InChIKey is IQNFHCDUAIEUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-2-3-10-16-23-17-18(24(16)12-7-6-11-21-13-25)14-8-4-5-9-15(14)22-19(17)20/h4-5,8-9,21,25H,2-3,6-7,10-13H2,1H3,(H2,20,22).
What are the key properties of [4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol?
[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol has a molecular weight of 341.46 g/mol, XLogP of 2.83, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol is sourced from PubChem (CID 138457331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).