[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl] formate

C20H26N4O2 — CID 169015832

IUPAC[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl] formate
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)COC=O
InChIInChI=1S/C20H26N4O2/c1-4-5-10-16-23-17-18(24(16)11-20(2,3)12-26-13-25)14-8-6-7-9-15(14)22-19(17)21/h6-9,13H,4-5,10-12H2,1-3H3,(H2,21,22)
InChIKeyGMLPAVAYRIQNAB-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.71
Rot. Bonds8

About [3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl] formate

[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl] formate (PubChem CID 169015832) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is [3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl] formate.

Molecular Properties

Compound Name[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl] formate
PubChem CID169015832
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl] formate
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)COC=O
InChIInChI=1S/C20H26N4O2/c1-4-5-10-16-23-17-18(24(16)11-20(2,3)12-26-13-25)14-8-6-7-9-15(14)22-19(17)21/h6-9,13H,4-5,10-12H2,1-3H3,(H2,21,22)
InChIKeyGMLPAVAYRIQNAB-UHFFFAOYSA-N
XLogP3.71
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropoxy]ethyl]formamide
CID 167498100
3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropane-1-thiol
CID 166933556
2-butyl-1-(2,2-dimethylpentyl)imidazo[4,5-c]quinolin-4-amine
CID 170078321
[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl] 2-sulfanylethyl carbonate
CID 176816821
tert-butyl N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl]carbamate
CID 166933579
N-[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl]benzamide
CID 10410390
benzyl 5-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-4,4-dimethylpentanoate
CID 170078489
2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
2-butyl-1-(4-tert-butylsulfanylbutyl)imidazo[4,5-c]quinolin-4-amine
CID 10287302
2-butyl-1-[(4-ethylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine
CID 134510359
2-butyl-1-(furan-3-ylmethyl)imidazo[4,5-c]quinolin-4-amine
CID 177376202
1-(2-methylpropyl)-2-pentylimidazo[4,5-c]quinolin-4-amine
CID 11185992

Frequently Asked Questions

What is the IUPAC name of [3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl] formate?
The IUPAC name of [3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl] formate (CID 169015832) is [3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl] formate.
What is the SMILES notation for [3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl] formate?
The canonical SMILES for [3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl] formate is CCCCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)COC=O.
What is the InChIKey of [3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl] formate?
The InChIKey is GMLPAVAYRIQNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-4-5-10-16-23-17-18(24(16)11-20(2,3)12-26-13-25)14-8-6-7-9-15(14)22-19(17)21/h6-9,13H,4-5,10-12H2,1-3H3,(H2,21,22).
What are the key properties of [3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl] formate?
[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl] formate has a molecular weight of 354.45 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropyl] formate is sourced from PubChem (CID 169015832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).